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72990-99-9 | 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)benzoic acid
CAS No: 72990-99-9 Catalog No: AG01AARB MDL No:MFCD12736546
Product Description
Catalog Number:
AG01AARB
Chemical Name:
2-(2-methyl-2,3-dihydro-1H-indol-1-yl)benzoic acid
CAS Number:
72990-99-9
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD12736546
IUPAC Name:
2-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
InChI:
InChI=1S/C16H15NO2/c1-11-10-12-6-2-4-8-14(12)17(11)15-9-5-3-7-13(15)16(18)19/h2-9,11H,10H2,1H3,(H,18,19)
InChI Key:
FBFLQTBPQBJPDX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1C(C)Cc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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