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163801-85-2 | 1H-Benz[e]inden-1-ol, 2,3-dihydro-2-methyl-
CAS No: 163801-85-2 Catalog No: AG001UEK MDL No:
Product Description
Catalog Number:
AG001UEK
Chemical Name:
1H-Benz[e]inden-1-ol, 2,3-dihydro-2-methyl-
CAS Number:
163801-85-2
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ol
InChI:
InChI=1S/C14H14O/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14(9)15/h2-7,9,14-15H,8H2,1H3
InChI Key:
DOAPDKSFSSCLCV-UHFFFAOYSA-N
SMILES:
CC1Cc2c(C1O)c1ccccc1cc2
Properties
Complexity:
238
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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