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150331-48-9 | 2(1H)-Naphthalenone, 3,4-dihydro-5,7-dimethyl-
CAS No: 150331-48-9 Catalog No: AG001MJN MDL No:MFCD11042314
Product Description
Catalog Number:
AG001MJN
Chemical Name:
2(1H)-Naphthalenone, 3,4-dihydro-5,7-dimethyl-
CAS Number:
150331-48-9
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD11042314
IUPAC Name:
5,7-dimethyl-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C12H14O/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-6H,3-4,7H2,1-2H3
InChI Key:
XLLBOUOFVRYIQZ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)cc(cc2C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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