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127958-23-0 | Butanoic acid, 2-[(dimethylamino)methylene]-4-methoxy-3-oxo-, methyl ester
CAS No: 127958-23-0 Catalog No: AG000XM1 MDL No:
Product Description
Catalog Number:
AG000XM1
Chemical Name:
Butanoic acid, 2-[(dimethylamino)methylene]-4-methoxy-3-oxo-, methyl ester
CAS Number:
127958-23-0
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
methyl 2-(dimethylaminomethylidene)-4-methoxy-3-oxobutanoate
InChI:
InChI=1S/C9H15NO4/c1-10(2)5-7(9(12)14-4)8(11)6-13-3/h5H,6H2,1-4H3
InChI Key:
YOMXMNVCBBDQDO-UHFFFAOYSA-N
SMILES:
COCC(=O)C(=CN(C)C)C(=O)OC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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