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17738-79-3 | Acetic acid, 2-[(3-methylphenyl)amino]-2-oxo-, ethyl ester
CAS No: 17738-79-3 Catalog No: AG0025AO MDL No:MFCD00966378
Product Description
Catalog Number:
AG0025AO
Chemical Name:
Acetic acid, 2-[(3-methylphenyl)amino]-2-oxo-, ethyl ester
CAS Number:
17738-79-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00966378
IUPAC Name:
ethyl 2-(3-methylanilino)-2-oxoacetate
InChI:
InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13)
InChI Key:
QXPRZYLYGVIPFZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1cccc(c1)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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