Trans-3-Pentenoic Acid

CAT: 0024-sc-296577Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-296577Size:5 mL

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CAS Number

1617-32-9

Chemical Information

(3E)-3-Pentenoic acid

Pent-3-enoic acid is a pentenoic acid having the double bond at position 3. It is a conjugate acid of a pent-3-enoate.

CAS Number	1617-32-9
PubChem CID	5282706
IUPAC Name	(E)-pent-3-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	2
Heavy Atom Count	7
Formal Charge	0
Complexity	84

SMILES

C/C=C/CC(=O)O

InChI

InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+

InChIKey

UIUWNILCHFBLEQ-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 1617-32-9

CID: 5282706

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	2
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-W061674-01	Trans-2-Pentenoic acid
TRC-P227455-2.5G	trans-2-Pentenoic Acid Chloride
M21395-01	Trans-2-Methyl-2-pentenoic Acid
P04375-01	3-Pentenoic acid
HY-W088501-01	(E) -3-Pentenoic acid
T8032-01	4-Pentenoic acid