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179810-46-9 | Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-
CAS No: 179810-46-9 Catalog No: AG0027AH MDL No:
Product Description
Catalog Number:
AG0027AH
Chemical Name:
Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-
CAS Number:
179810-46-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-(2,2-dimethylpropanoylamino)-6-methylbenzoic acid
InChI:
InChI=1S/C13H17NO3/c1-8-6-5-7-9(10(8)11(15)16)14-12(17)13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChI Key:
JZRLLLULSVYCSF-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1cccc(c1C(=O)O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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