2-Ethylvaleric acid

CAT: 1596-AR-M03132-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03132-02Size:25 Units

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CAS Number

727722-15-8

Synonyms

Pentanoic acid, 2-ethyl-, (2S) ; (S) - (+) -2-Ethylpentanoic acid

Molecular Weight

130.19

Chemical Information

2-Ethylpentanoic acid, (+)-

CAS Number	727722-15-8
PubChem CID	12729170
IUPAC Name	(2S)-2-ethylpentanoic acid
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CCC[C@H](CC)C(=O)O

InChI

InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1

InChIKey

BAZMYXGARXYAEQ-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 727722-15-8

CID: 12729170

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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