2-Ethylhexanoic Acid extrapure, 99%

CAT: 0565-78214-01Size: 250 mLDry Ice: NoHazardous: No

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Description

Part B

CAS Number

149-57-5

Storage Temperature

Room Temperature

Chemical Information

2-Ethylhexanoic Acid

2-Ethylhexanoic acid is a branched-chain fatty acid.

CAS Number	149-57-5
PubChem CID	8697
IUPAC Name	2-ethylhexanoic acid
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCCCC(CC)C(=O)O

InChI

InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

OBETXYAYXDNJHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149-57-5

CID: 8697

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.4
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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