3,4-Dihydroxybutanoic Acid

CAT: 1299-RG-A261674-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261674-01Size:10 mg

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CAS Number

1518-61-2

Synonyms

3,4-dihydroxybutanoic acid

Molecular Formula

C4H8O4

Molecular Weight

120.1

Target Alternative Name

Butanoic Acid

Product Name Synonym

3,4-dihydroxybutanoic acid

Chemical Information

3,4-Dihydroxybutanoic acid

3,4-dihydroxybutyric acid is a -hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively. It has a role as a human metabolite. It is an omega-hydroxy-short-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to a butyric acid.

CAS Number	1518-61-2
PubChem CID	150929
IUPAC Name	3,4-dihydroxybutanoic acid
Molecular Formula	C4H8O4
Molecular Weight	120.10
XLogP	-1.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

C(C(CO)O)C(=O)O

InChI

InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)

InChIKey

DZAIOXUZHHTJKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1518-61-2

CID: 150929

Formula: C4H8O4

MW: 120.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	120.10
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	120.04225873
Monoisotopic Mass	120.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.1
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

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Alternative Products

Catalog	Name
HY-113073	2,4-Dihydroxybutanoic acid
AR-B08142-01	3,4-Dihydroxybutanoic Acid Sodium Salt
HY-157901	2,3-Dihydroxybutanoic acid
sc-498593	(3S) -3,4-Dihydroxybutanoic Acid Ethyl Ester
TRC-D675905-1G	(R)-3,4-Dihydroxybutanoic Acid Ethyl Ester
FD59498-01	2,4-Dihydroxybutanoic acid calcium
TRC-D452385-500MG	(3S)-3,4-Dihydroxybutanoic Acid Ethyl Ester
AR-B08136-01	(3S) -3,4-Dihydroxybutanoic Acid Sodium Salt
AR-B08141-01	2,4-Dihydroxybutanoic Acid Sodium Salt
AR-B08137-01	(2S) -2,4-Dihydroxybutanoic Acid Sodium Salt

3,4-Dihydroxybutanoic Acid

Chemical Information

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