Ethyl 2-hydroxyvalerate

CAT: 0127-OR310645-04Size: 5 gDry Ice: NoHazardous: No

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CAS Number

6938-26-7

MDL Number

MFCD00042730

Purity

95%

Smiles

CCCC(O)C(=O)OCC

Chemical Information

Ethyl 2-hydroxypentanoate

Ethyl 2-hydroxypentanoate is a metabolite found in or produced by Saccharomyces cerevisiae.

CAS Number	6938-26-7
PubChem CID	96120
IUPAC Name	ethyl 2-hydroxypentanoate
Molecular Formula	C7H14O3
Molecular Weight	146.18
XLogP	1.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

CCCC(C(=O)OCC)O

InChI

InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3

InChIKey

MQGTZMCASHTGBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6938-26-7

CID: 96120

Formula: C7H14O3

MW: 146.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	146.094294304
Monoisotopic Mass	146.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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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