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651740-35-1 | 6H-Cyclooct[b]indol-6-one, 5,7,8,9,10,11-hexahydro-4-methyl-
CAS No: 651740-35-1 Catalog No: AG00H7RC MDL No:
Product Description
Catalog Number:
AG00H7RC
Chemical Name:
6H-Cyclooct[b]indol-6-one, 5,7,8,9,10,11-hexahydro-4-methyl-
CAS Number:
651740-35-1
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
4-methyl-5,7,8,9,10,11-hexahydrocycloocta[b]indol-6-one
InChI:
InChI=1S/C15H17NO/c1-10-6-5-8-11-12-7-3-2-4-9-13(17)15(12)16-14(10)11/h5-6,8,16H,2-4,7,9H2,1H3
InChI Key:
OZACFIUBHCXQLO-UHFFFAOYSA-N
SMILES:
O=C1CCCCCc2c1[nH]c1c2cccc1C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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