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101724-84-9 | Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS No: 101724-84-9 Catalog No: AG0005BQ MDL No:MFCD01006384
Product Description
Catalog Number:
AG0005BQ
Chemical Name:
Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS Number:
101724-84-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01006384
IUPAC Name:
2-(2,2-dimethylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key:
PGCLHEDGEGINOE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1C(=O)O
Properties
Complexity:
281
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:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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