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89229-00-5 | 1(2H)-Phenanthrenone, 3,4,9,10-tetrahydro-9,9-dimethyl-
CAS No: 89229-00-5 Catalog No: AG0043E1 MDL No:
Product Description
Catalog Number:
AG0043E1
Chemical Name:
1(2H)-Phenanthrenone, 3,4,9,10-tetrahydro-9,9-dimethyl-
CAS Number:
89229-00-5
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
9,9-dimethyl-2,3,4,10-tetrahydrophenanthren-1-one
InChI:
InChI=1S/C16H18O/c1-16(2)10-13-11(7-5-9-15(13)17)12-6-3-4-8-14(12)16/h3-4,6,8H,5,7,9-10H2,1-2H3
InChI Key:
AUFUZZGQUYAGTE-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1CC(C)(C)c1c2cccc1
Properties
Complexity:
375
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:
0
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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