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1614-83-1 | "7-hydroxy-2,3,4,4a,5,6-hexahydronaphthalen-2-one"
CAS No: 1614-83-1 Catalog No: AG01FM6W MDL No:MFCD24689411
Product Description
Catalog Number:
AG01FM6W
Chemical Name:
"7-hydroxy-2,3,4,4a,5,6-hexahydronaphthalen-2-one"
CAS Number:
1614-83-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD24689411
IUPAC Name:
7-hydroxy-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
InChI:
InChI=1S/C10H12O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h5-7,11H,1-4H2
InChI Key:
LWNFFISCITYFKK-UHFFFAOYSA-N
SMILES:
OC1=CC2=CC(=O)CCC2CC1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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