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133130-79-7 | 3-Phenanthrenol, 5,6,7,8-tetrahydro-8,8-dimethyl-
CAS No: 133130-79-7 Catalog No: AG0014B5 MDL No:
Product Description
Catalog Number:
AG0014B5
Chemical Name:
3-Phenanthrenol, 5,6,7,8-tetrahydro-8,8-dimethyl-
CAS Number:
133130-79-7
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
8,8-dimethyl-6,7-dihydro-5H-phenanthren-3-ol
InChI:
InChI=1S/C16H18O/c1-16(2)9-3-4-13-14-10-12(17)7-5-11(14)6-8-15(13)16/h5-8,10,17H,3-4,9H2,1-2H3
InChI Key:
NZPHFMVNAUUXKA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1CCCC(c1cc2)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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