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915921-46-9 | 3-(ISOBUTYRYLAMINO)-4-METHYLBENZOIC ACID
CAS No: 915921-46-9 Catalog No: AG006GL1 MDL No:MFCD08569891
Product Description
Catalog Number:
AG006GL1
Chemical Name:
3-(ISOBUTYRYLAMINO)-4-METHYLBENZOIC ACID
CAS Number:
915921-46-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD08569891
IUPAC Name:
4-methyl-3-(2-methylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-7(2)11(14)13-10-6-9(12(15)16)5-4-8(10)3/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChI Key:
ITNJBNSCALFBTK-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1cc(ccc1C)C(=O)O)C
Properties
Complexity:
275
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:
1.8
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