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127169-17-9 | 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-2-(phenylmethyl)-
CAS No: 127169-17-9 Catalog No: AG000WQ0 MDL No:MFCD09835508
Product Description
Catalog Number:
AG000WQ0
Chemical Name:
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-2-(phenylmethyl)-
CAS Number:
127169-17-9
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD09835508
IUPAC Name:
2-benzyl-1,3-dihydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C16H15NO2/c18-16(19)14-8-4-7-13-10-17(11-15(13)14)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,19)
InChI Key:
FCHOYDWTQYAPDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1CN(C2)Cc1ccccc1
Properties
Complexity:
325
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:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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