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trans-4-Hydroxycyclohexanecarboxylic Acid - 10mM in DMSO, high purity , CAS No.3685-26-5
Basic Description
Synonyms
trans-4-hydroxycyclohexanecarboxylic acid | 4-Hydroxycyclohexanecarboxylic acid | cis-4-Hydroxycyclohexanecarboxylic Acid | 3685-26-5 | 17419-81-7 | 3685-22-1 | 4-hydroxycyclohexane-1-carboxylic acid | 4-Hydroxycyclohexylcarboxylic acid | Cyclohexanecarboxylic acid, 4-hy
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Secondary alcohols
Direct Parent
Cyclohexanols
Alternative Parents
Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexanol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-hydroxycyclohexane-1-carboxylic acid
INCHI
InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChIKey
HCFRWBBJISAZNK-UHFFFAOYSA-N
Smiles
C1CC(CCC1C(=O)O)O
Isomeric SMILES
C1CC(CCC1C(=O)O)O
Molecular Weight
144.17
Beilstein
10(4)32
Reaxy-Rn
2689806
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689806&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
154℃
Flash Point(°C)
154℃
Boil Point(°C)
308℃
Melt Point(°C)
149-150℃
Molecular Weight
144.170 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
144.079 Da
Monoisotopic Mass
144.079 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
125.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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