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114908-17-7 | 3-Butenoic acid, 4-methoxy-2-oxo-, methyl ester, (3E)-
CAS No: 114908-17-7 Catalog No: AG000FEY MDL No:
Product Description
Catalog Number:
AG000FEY
Chemical Name:
3-Butenoic acid, 4-methoxy-2-oxo-, methyl ester, (3E)-
CAS Number:
114908-17-7
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
methyl 4-methoxy-2-oxobut-3-enoate
InChI:
InChI=1S/C6H8O4/c1-9-4-3-5(7)6(8)10-2/h3-4H,1-2H3
InChI Key:
ULVZASULKYKRBU-UHFFFAOYSA-N
SMILES:
CO/C=C/C(=O)C(=O)OC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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