Methyl 3-cyclohexyl-3-hydroxypropanoate

CAT: 0127-OR1085792-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1085792-01Size:250 mg

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CAS Number

180475-27-8

Purity

95%

Smiles

C (CC (=O) OC) (O) C1CCCCC1

Chemical Information

Methyl 3-cyclohexyl-3-hydroxypropanoate

CAS Number	180475-27-8
PubChem CID	10877839
IUPAC Name	methyl 3-cyclohexyl-3-hydroxypropanoate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

COC(=O)CC(C1CCCCC1)O

InChI

InChI=1S/C10H18O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3

InChIKey

PAKFURKPPSCHAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 180475-27-8

CID: 10877839

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1091040-01	Isopropyl 3-cyclohexyl-3-hydroxypropanoate
OR1085428-01	Tert-butyl 3-cyclohexyl-3-hydroxypropanoate
OR951565-01	Methyl 3-hydroxypropanoate
OR1047095-01	Methyl 3-cyclopropyl-3-hydroxypropanoate
PC1011348-01	Methyl 3- (3-fluorophenyl) -3-hydroxypropanoate
OR1093231-01	Methyl 3- (3-chlorophenyl) -3-hydroxypropanoate
PC19688	Methyl 2-fluoro-3-hydroxypropanoate
OR77581-01	Methyl 2-bromo-3-hydroxypropanoate
OR90843-01	Methyl 2- (benzylamino) -3-hydroxypropanoate
PC1012340-01	Methyl 3- (2-fluorophenyl) -3-hydroxypropanoate

Catalog	Name
IRB77774-01	Methyl 3-cyclohexyl-2-hydroxypropanoate
T40698-01	Methyl 3-hydroxypropanoate
KDA67712-01	Methyl 2-benzyl-3-hydroxypropanoate
QAA05576-01	Methyl 3-cyano-2-hydroxypropanoate
HAA69128-01	Methyl 2-bromo-3-hydroxypropanoate
JH597610	Methyl 2-chloro-3-hydroxypropanoate
CCA77882-01	Methyl 2- (cyclohexylformamido) -3-hydroxypropanoate
RG-M050885-01	Methyl 2-Amino-3-Hydroxypropanoate
EAC36579-01	Methyl 2- (3,4-dichlorophenyl) -3-hydroxypropanoate
LHA39300-01	Methyl 3-amino-2-hydroxypropanoate hydrochloride