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918336-22-8

918336-22-8 | 1(2H)-Naphthalenone, 3,4-dihydro-2-hydroxy-6-methoxy-2-methyl-

CAS No: 918336-22-8 Catalog No: AG006GAS MDL No:

Product Description

Catalog Number:
AG006GAS
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-hydroxy-6-methoxy-2-methyl-
CAS Number:
918336-22-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-hydroxy-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C12H14O3/c1-12(14)6-5-8-7-9(15-2)3-4-10(8)11(12)13/h3-4,7,14H,5-6H2,1-2H3
InChI Key:
YYIYNHUNXHGIBN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(C2=O)(C)O

Properties

Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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