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16141-44-9 | Butanoic acid, 4-[(3-methoxyphenyl)amino]-4-oxo-
CAS No: 16141-44-9 Catalog No: AG001SGR MDL No:MFCD00239114
Product Description
Catalog Number:
AG001SGR
Chemical Name:
Butanoic acid, 4-[(3-methoxyphenyl)amino]-4-oxo-
CAS Number:
16141-44-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00239114
IUPAC Name:
4-(3-methoxyanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H13NO4/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
DLSAAWQLSTXCNZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)CCC(=O)O
NSC Number:
165987
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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