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Home > Indoles and Oxindole > 77976-31-9
77976-31-9 | BENZO[E](1)BENZOPYRANO[4,3-B]INDOL-6(13H)-ONE
CAS No: 77976-31-9 Catalog No: AG005Q7L MDL No:
Product Description
Catalog Number:
AG005Q7L
Chemical Name:
BENZO[E](1)BENZOPYRANO[4,3-B]INDOL-6(13H)-ONE
CAS Number:
77976-31-9
Molecular Formula:
C19H11NO2
Molecular Weight:
285.2961
IUPAC Name:
20-oxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaen-21-one
InChI:
InChI=1S/C19H11NO2/c21-19-17-16-12-6-2-1-5-11(12)9-10-14(16)20-18(17)13-7-3-4-8-15(13)22-19/h1-10,20H
InChI Key:
BCIKMYGJYYVSJO-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1c1c([nH]2)ccc2c1cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.302g/mol
Monoisotopic Mass:
285.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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