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89470-45-1 | 2(3H)-Naphthalenone, 4,6,7,8-tetrahydro-1,3,8-trimethyl-
CAS No: 89470-45-1 Catalog No: AG00427U MDL No:
Product Description
Catalog Number:
AG00427U
Chemical Name:
2(3H)-Naphthalenone, 4,6,7,8-tetrahydro-1,3,8-trimethyl-
CAS Number:
89470-45-1
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1,3,8-trimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
InChI:
InChI=1S/C13H18O/c1-8-5-4-6-11-7-9(2)13(14)10(3)12(8)11/h6,8-9H,4-5,7H2,1-3H3
InChI Key:
ULTBIZFXRXDTMT-UHFFFAOYSA-N
SMILES:
CC1CC2=CCCC(C2=C(C1=O)C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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