4-Pentenoic acid

CAT: 0024-sc-256819Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-256819Size:5 g

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CAS Number

591-80-0

Chemical Information

4-Pentenoic acid

Pent-4-enoic acid is a pentenoic acid having the double bond at position 4. It is a conjugate acid of a pent-4-enoate.

CAS Number	591-80-0
PubChem CID	61138
IUPAC Name	pent-4-enoic acid
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	0.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	76

SMILES

C=CCCC(=O)O

InChI

InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey

HVAMZGADVCBITI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 591-80-0

CID: 61138

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	76.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes