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351000-55-0 | 6,11-Dihydro-benzo[b]acridine-12-carboxylic acid
CAS No: 351000-55-0 Catalog No: AG01F9N6 MDL No:
Product Description
Catalog Number:
AG01F9N6
Chemical Name:
6,11-Dihydro-benzo[b]acridine-12-carboxylic acid
CAS Number:
351000-55-0
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
6,11-dihydrobenzo[b]acridine-12-carboxylic acid
InChI:
InChI=1S/C18H13NO2/c20-18(21)17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-8H,9-10H2,(H,20,21)
InChI Key:
JMXYPJGCQBJVAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2Cc3ccccc3Cc2nc2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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