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141493-60-9 | Cyclohepta[b]pyrrol-2(1H)-one, 1-(4-methoxyphenyl)-
CAS No: 141493-60-9 Catalog No: AG001GHM MDL No:
Product Description
Catalog Number:
AG001GHM
Chemical Name:
Cyclohepta[b]pyrrol-2(1H)-one, 1-(4-methoxyphenyl)-
CAS Number:
141493-60-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
1-(4-methoxyphenyl)cyclohepta[b]pyrrol-2-one
InChI:
InChI=1S/C16H13NO2/c1-19-14-9-7-13(8-10-14)17-15-6-4-2-3-5-12(15)11-16(17)18/h2-11H,1H3
InChI Key:
MAYTWYZRDOVXFR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=O)cc2c1ccccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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