4-Hydroxycyclohexanecarboxylic acid

CAT: 0127-OR960249-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR960249-03Size:500 g

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CAS Number

17419-81-7

MDL Number

MFCD00077974

Purity

99%

Smiles

OC1CCC(CC1)C(=O)O

Chemical Information

4-Hydroxycyclohexanecarboxylic acid

4-hydroxycyclohexanecarboxylic acid is a 4-hydroxy monocarboxylic acid that is cyclohexane substituted by a carboxy group at position 1 and a hydroxy group at position 4. It has a role as a human urinary metabolite. It is functionally related to a cyclohexanecarboxylic acid.

CAS Number	17419-81-7
PubChem CID	151138
IUPAC Name	4-hydroxycyclohexane-1-carboxylic acid
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

C1CC(CCC1C(=O)O)O

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

Chemical Structure

2D Structure

CAS: 17419-81-7

CID: 151138

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-W015675-01	4-Hydroxycyclohexanecarboxylic acid
C7042-100	trans-4-Hydroxycyclohexanecarboxylic acid
HY-W015675R	4-Hydroxycyclohexanecarboxylic acid (Standard)
FH154445-01	Cis-4-Hydroxycyclohexanecarboxylic acid

4-Hydroxycyclohexanecarboxylic acid

Chemical Information

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