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15861-40-2 | 1H-Indole-7-carboxylic acid, 2,3-dihydro-
CAS No: 15861-40-2 Catalog No: AG001QCD MDL No:MFCD11617212
Product Description
Catalog Number:
AG001QCD
Chemical Name:
1H-Indole-7-carboxylic acid, 2,3-dihydro-
CAS Number:
15861-40-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD11617212
IUPAC Name:
2,3-dihydro-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C9H9NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2,(H,11,12)
InChI Key:
GDNYELSKMFYCBB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1NCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Antiinflammatory agents. 1. Synthesis and antiinflammatory activity of 2-amino-3-benzoylphenylacetic acid. | Journal of medicinal chemistry 19790901 |
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