4-Hydroxybutyric Acid Methyl Ester

CAT: 0572-TRC-H833030-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H833030-100MGSize:100 mg

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CAS Number

925-57-5

Hazard Statement

Harmful if swallowed

Smiles

COC(=O)CCCO

Molecular Formula

C5 H10 O3

Molecular Weight

118.13

InChI

InChI=1S/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H3

Additionnal Information

IUPAC name: methyl 4-hydroxybutanoate

Shipping Conditions

Ice Packs

Storage Conditions

+4°C

Chemical Information

Butanoic acid, 4-hydroxy-, methyl ester

CAS Number	925-57-5
PubChem CID	70217
IUPAC Name	methyl 4-hydroxybutanoate
Molecular Formula	C5H10O3
Molecular Weight	118.13
XLogP	0.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

COC(=O)CCCO

InChI

InChI=1S/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H3

InChIKey

JUYVXCGKMCYNBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 925-57-5

CID: 70217

Formula: C5H10O3

MW: 118.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	118.13
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	118.062994177
Monoisotopic Mass	118.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
161435	4-Hydroxybutyric Acid Methyl Ester
sc-490505	4-Hydroxybutyric Acid Benzyl Ester
OR932699	(R) -4-Chloro-3-hydroxybutyric acid methyl ester
FM12107	(R) - (-) -3-Hydroxybutyric acid methyl ester
FH181143-01	2-Methyl-3-hydroxybutyric acid
FH02685-01	(R) - (-) -3-Hydroxybutyric acid ethyl ester
433120-01	4-Methyl-benzenepropanoic acid methyl ester
OR1077025	Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
CS-T-01925	4-Aminobenzoic Acid Methyl Ester
NAA01302	4-Nitrobutyric Acid Methyl Ester

4-Hydroxybutyric Acid Methyl Ester

Chemical Information

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