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13185-18-7 | 1(2H)-Naphthalenone, 3,4-dihydro-8-methoxy-
CAS No: 13185-18-7 Catalog No: AG000ZTO MDL No:MFCD01546945
Product Description
Catalog Number:
AG000ZTO
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-8-methoxy-
CAS Number:
13185-18-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD01546945
IUPAC Name:
8-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H12O2/c1-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h3,5,7H,2,4,6H2,1H3
InChI Key:
DJFIWDAAEBDDES-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)CCC2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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