Methyl 3-cyclopropyl-3-hydroxypropanoate

CAT: 0127-OR1047095-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047095-01Size:100 mg

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CAS Number

306773-94-4

MDL Number

MFCD28361602

Purity

95%

Smiles

O=C(OC)CC(C1CC1)O

Chemical Information

Methyl 3-cyclopropyl-3-hydroxy-propanoate

CAS Number	306773-94-4
PubChem CID	10313199
IUPAC Name	methyl 3-cyclopropyl-3-hydroxypropanoate
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

COC(=O)CC(C1CC1)O

InChI

InChI=1S/C7H12O3/c1-10-7(9)4-6(8)5-2-3-5/h5-6,8H,2-4H2,1H3

InChIKey

AHZTZDNJDVAMPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306773-94-4

CID: 10313199

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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
OR919615	(R) -Methyl 3-cyclopropyl-2-hydroxypropanoate
OR83752-01	(S) -Methyl 3-cyclopropyl-2-hydroxypropanoate
OR1091440-01	Benzyl 3-cyclopropyl-3-hydroxypropanoate
OR1091262-01	Isopropyl 3-cyclopropyl-3-hydroxypropanoate
OR78821	Ethyl 3-cyclopropyl-3-hydroxypropanoate
OR951565-01	Methyl 3-hydroxypropanoate
OR1091591-01	Tert-butyl 3-cyclopropyl-3-hydroxypropanoate
OR1085792-01	Methyl 3-cyclohexyl-3-hydroxypropanoate
PC1011348-01	Methyl 3- (3-fluorophenyl) -3-hydroxypropanoate
OR1093231-01	Methyl 3- (3-chlorophenyl) -3-hydroxypropanoate

Catalog	Name
T40698-01	Methyl 3-hydroxypropanoate
KDA67712-01	Methyl 2-benzyl-3-hydroxypropanoate
IRB77774-01	Methyl 3-cyclohexyl-2-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
sc-396332	Methyl 3-cyclopropyl-3-oxopropionate