Cis-3-Methoxycyclohexanecarboxylic acid

CAT: 0127-OR1069955-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1069955-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

73873-52-6

MDL Number

MFCD30478474

Purity

97%

Smiles

O=C([C@H]1C[C@@H](OC)CCC1)O

Chemical Information

Cyclohexanecarboxylic acid, 3-methoxy-, (1R,3S)-rel-

CAS Number	73873-52-6
PubChem CID	12739728
IUPAC Name	cis-(1R,3S)-3-methoxycyclohexane-1-carboxylic acid
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	0.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CO[C@H]1CCC[C@H](C1)C(=O)O

InChI

InChI=1S/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m1/s1

InChIKey

KAWNRNMMEKTYGM-RQJHMYQMSA-N

Chemical Structure

2D Structure

CAS: 73873-52-6

CID: 12739728

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR939882-01	3-Methoxycyclohexanecarboxylic acid
OR1038021-01	Trans-4-Methoxycyclohexanecarboxylic acid
OR8278-01	Cis-3-Aminocyclobutanecarboxylic acid
OR317126	Cis-3-Methoxycyclobutanecarboxylic acid
OR922105-01	Cis-3-Chloroacrylic acid
OR1065643-01	Cis-3-Hexenoic acid
OR317124	Cis-3-Hydroxycyclobutanecarboxylic acid
OR1062352-01	Cis-3-Aminocyclohexanecarboxylic acid
OR1070066-01	Cis-3-Hydroxycyclohexanecarboxylic acid
OR317068	Cis-3-Methylcyclobutanecarboxylic acid

Catalog	Name
sc-226120	3-Methoxycyclohexanecarboxylic acid, mixture of cis and trans
ZDA79910	3-Methoxycyclohexanecarboxylic acid
VDA23312-01	4-Methoxycyclohexanecarboxylic acid, mixture of cis and trans
433038-01	4-Methoxycyclohexanecarboxylic Acid
JH918514	2-Methoxycyclohexanecarboxylic acid
YCA87361-01	Trans-4-Methoxycyclohexanecarboxylic Acid
sc-234397	Cis, cis, cis, cis-1,2,3,4-Cyclopentanetetracarboxylic acid
B418328	Cis-3-chloroacrylic acid
TN8403-01	Cis-3-Indoleacrylic acid
sc-472843	Cis-3-Aminocyclohexanecarboxylic Acid