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209984-30-5 | 6H-DIBENZ[B,D]AZEPIN-6-ONE, 5,7-DIHYDRO-5-METHYL-
CAS No: 209984-30-5 Catalog No: AG002KIB MDL No:MFCD11977772
Product Description
Catalog Number:
AG002KIB
Chemical Name:
6H-DIBENZ[B,D]AZEPIN-6-ONE, 5,7-DIHYDRO-5-METHYL-
CAS Number:
209984-30-5
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
MDL Number:
MFCD11977772
IUPAC Name:
5-methyl-7H-benzo[d][1]benzazepin-6-one
InChI:
InChI=1S/C15H13NO/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15(16)17/h2-9H,10H2,1H3
InChI Key:
VLYOZVMUFWIJIQ-UHFFFAOYSA-N
SMILES:
CN1C(=O)Cc2c(c3c1cccc3)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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