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2960-66-9 | 2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-
CAS No: 2960-66-9 Catalog No: AG002YVA MDL No:MFCD00236170
Product Description
Catalog Number:
AG002YVA
Chemical Name:
2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-
CAS Number:
2960-66-9
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD00236170
IUPAC Name:
ethyl (E)-4-oxobut-2-enoate
InChI:
InChI=1S/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+
InChI Key:
SDGAEBKMHIPSAC-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/C=O
EC Number:
438-470-8
Properties
Complexity:
126
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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