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71041-38-8 | 2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)-
CAS No: 71041-38-8 Catalog No: AG005ESP MDL No:
Product Description
Catalog Number:
AG005ESP
Chemical Name:
2-Butenoic acid, 2-methyl-4-oxo-, ethyl ester, (2E)-
CAS Number:
71041-38-8
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
ethyl 2-methyl-4-oxobut-2-enoate
InChI:
InChI=1S/C7H10O3/c1-3-10-7(9)6(2)4-5-8/h4-5H,3H2,1-2H3
InChI Key:
SHPFIKDJWFHYJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C=O)/C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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