C=CCC(=O)O
CAS: 625-38-7
Name: but-3-enoic acid
SMILES: C=CCC(=O)O

Molecular Processing

Molecular formula
C4H6O2
Molecular weight
86.09
Exact mass
86.0368
XLogP
0.65
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
22.45

Supplementary Information

InChIKey: PVEOYINWKBTPIZ-UHFFFAOYSA-N
Synonyme
3-Butenoic acidVinylacetic acidBut-3-enoic acid625-38-7beta-Butenoic acidCHEBI:35897DTXSID60211539RefChem:93286DTXCID40134030210-892-5Vinyl acetic acidAcetic acid, ethenyl-.beta.-Butenoic acidMFCD00002782C4:1n-128391-17-53-ButenoicAcid2-propenylcarboxylic acidallylic acidVinylessigsaeureethenylacetic acid3-but-enoic acidEINECS 210-892-5NSC 445463-buten-1-oic acidCrotamiton Impurity 22AI3-32117CH2=CHCH2COOH3-Butenoic acid, 97%SCHEMBL23108
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