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886363-72-0 | 3-Acetamido-3-(p-tolyl)propanoic acid
CAS No: 886363-72-0 Catalog No: AG004AOX MDL No:MFCD07784005
Product Description
Catalog Number:
AG004AOX
Chemical Name:
3-Acetamido-3-(p-tolyl)propanoic acid
CAS Number:
886363-72-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD07784005
IUPAC Name:
3-acetamido-3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C12H15NO3/c1-8-3-5-10(6-4-8)11(7-12(15)16)13-9(2)14/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
CZHBKBNENRJYDU-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)C)NC(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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