3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture)

CAT: 0024-sc-487354ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487354ASize:5 g

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CAS Number

606488-94-2

Chemical Information

3-Hydroxycyclohexanecarboxylic Acid

CAS Number	606488-94-2
PubChem CID	5255726
IUPAC Name	3-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	133

SMILES

C1CC(CC(C1)O)C(=O)O

InChI

InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)

InChIKey

JBZDHFKPEDWWJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 606488-94-2

CID: 5255726

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

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	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487355	2-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture)
sc-226120	3-Methoxycyclohexanecarboxylic acid, mixture of cis and trans
sc-486903	Cis-4-Hydroxycyclohexanecarboxylic Acid
sc-487337	Trans-4-Hydroxycyclohexanecarboxylic Acid
sc-487549	1,3-Cyclohexanedicarboxylic Acid (cis- and trans- mixture)
sc-231389	3- (Phenylthio) acrylic acid, mixture of cis and trans
sc-231860	3-Methylcyclohexanol, mixture of cis and trans
sc-485931	3-Methylcyclohexylamine (cis- and trans- mixture)
sc-231671	3-Ethoxyacrylonitrile, mixture of cis and trans
sc-484785	4-Isobutylcyclohexanecarboxylic Acid (cis- and trans- mixture)

Catalog	Name
TRC-D434300-10G	Permethrinic Acid (cis/trans mixture)
264458-01	4-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture)
OR1078183	4-Pentylcyclohexanecarboxylic Acid (cis- and trans- mixture)
GAA60371	4-Methylcyclohexaneacetic acid, mixture of cis and trans
GZA48894	3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture)
VDA23312-01	4-Methoxycyclohexanecarboxylic acid, mixture of cis and trans
OR1079252-01	4-Propylcyclohexanecarboxylic Acid (cis- and trans- mixture)
TRC-C184680-50G	Carveol(Mixture of cis and trans)
TRC-P398900-2.5G	Phytol (cis/trans mixture)
C818005	Crotamiton (Cis/Trans Mixture)