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88584-91-2 | 4H-Cyclopenta[c]cinnoline, 4-(4-methoxyphenyl)-
CAS No: 88584-91-2 Catalog No: AG004B3Z MDL No:
Product Description
Catalog Number:
AG004B3Z
Chemical Name:
4H-Cyclopenta[c]cinnoline, 4-(4-methoxyphenyl)-
CAS Number:
88584-91-2
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
4-(4-methoxyphenyl)cyclopenta[c]cinnoline
InChI:
InChI=1S/C18H14N2O/c1-21-14-11-9-13(10-12-14)20-18-8-4-6-16(18)15-5-2-3-7-17(15)19-20/h2-12H,1H3
InChI Key:
ZQRMFCYUUAMWAS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc2ccccc2c2c1ccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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