Home Other Building Blocks 2-Pentenoic acid, 4-oxo-, methyl ester, (2E)-

2-Pentenoic acid, 4-oxo-, methyl ester, (2E)-

CAS No.:
2833-24-1
Catalog Number:
AG00BDBG
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
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Product Description
Catalog Number:
AG00BDBG
Chemical Name:
2-Pentenoic acid, 4-oxo-, methyl ester, (2E)-
CAS Number:
2833-24-1
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD00059331
IUPAC Name:
methyl (E)-4-oxopent-2-enoate
InChI:
InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
InChI Key:
GLVNZYODMKSEPS-ONEGZZNKSA-N
SMILES:
COC(=O)C=CC(=O)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties