(1R,3S) -Methyl 3-hydroxycyclohexanecarboxylate

CAT: 0127-OR1051245-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051245-02Size:250 mg

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CAS Number

70144-91-1

MDL Number

MFCD28502734

Purity

95%

Smiles

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

Chemical Information

rac-methyl (1R,3S)-3-hydroxycyclohexane-1-carboxylate

CAS Number	70144-91-1
PubChem CID	58952953
IUPAC Name	cis-methyl (1R,3S)-3-hydroxycyclohexane-1-carboxylate
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	0.7
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

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

InChI

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

InChIKey

OXQRLBFDJMSRMM-RQJHMYQMSA-N

Chemical Structure

2D Structure

CAS: 70144-91-1

CID: 58952953

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	0.7
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
PC1004796-01	(1R,3S,4S) -Ethyl 3-fluoro-4-hydroxycyclohexanecarboxylate
OR921319-01	Methyl 3-hydroxycyclohexanecarboxylate
OR1007893-01	(1R,3S) -Methyl 3-Aminocyclopentanecarboxylate Hydrochloride
OR1052100-01	Methyl 1-hydroxycyclohexanecarboxylate
BUP07926-01	1R,3S-RSL 3
OR1025795-01	(1R,3S) -3-Aminocyclopentanol
OR1031047-01	Cis-methyl 2-hydroxycyclohexanecarboxylate
OR1058649-01	Tert-Butyl ((1R,3S) -3-aminocyclopentyl) (methyl) carbamate
OR1033445	Tert-Butyl ((1R,3S) -3-hydroxycyclopentyl) (methyl) carbamate
OR321528-01	Methyl (1R,3S) -3-aminocyclohexane-1-carboxylate hydrochloride

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