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893727-37-2 | 2-(ISOPROPYLAMINO)-5-METHYLBENZOIC ACID
CAS No: 893727-37-2 Catalog No: AG003X40 MDL No:MFCD07439745
Product Description
Catalog Number:
AG003X40
Chemical Name:
2-(ISOPROPYLAMINO)-5-METHYLBENZOIC ACID
CAS Number:
893727-37-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD07439745
IUPAC Name:
5-methyl-2-(propan-2-ylamino)benzoic acid
InChI:
InChI=1S/C11H15NO2/c1-7(2)12-10-5-4-8(3)6-9(10)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChI Key:
OVMMTAOLVICNMI-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1C(=O)O)C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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