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89506-53-6 | 2H-Benz[e]inden-2-one, 3,3a,4,5-tetrahydro-1-methyl-
CAS No: 89506-53-6 Catalog No: AG00419T MDL No:
Product Description
Catalog Number:
AG00419T
Chemical Name:
2H-Benz[e]inden-2-one, 3,3a,4,5-tetrahydro-1-methyl-
CAS Number:
89506-53-6
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-methyl-3,3a,4,5-tetrahydrocyclopenta[a]naphthalen-2-one
InChI:
InChI=1S/C14H14O/c1-9-13(15)8-11-7-6-10-4-2-3-5-12(10)14(9)11/h2-5,11H,6-8H2,1H3
InChI Key:
GSJDQHGOFRWTBU-UHFFFAOYSA-N
SMILES:
O=C1CC2C(=C1C)c1ccccc1CC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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