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2-Pentenoic acid

CAT: 0024-sc-225526Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225526Size:25 g
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CAS Number
13991-37-2

Chemical Information

trans-2-Pentenoic acid

Pent-2-enoic acid is a pentenoic acid having the double bond at position 2. It is a pentenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a pent-2-enoate.

CAS Number13991-37-2
PubChem CID638122
IUPAC Name(E)-pent-2-enoic acid
Molecular FormulaC5H8O2
Molecular Weight100.12
XLogP1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity84
SMILES
CC/C=C/C(=O)O
InChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey
YIYBQIKDCADOSF-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of trans-2-Pentenoic acid
CAS: 13991-37-2
CID: 638122
Formula: C5H8O2
MW: 100.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.12
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass100.052429494
Monoisotopic Mass100.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity84.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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