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78757-81-0 | 1(2H)-Naphthalenone, 2-ethyl-3,4-dihydro-5-hydroxy-
CAS No: 78757-81-0 Catalog No: AG0058AN MDL No:
Product Description
Catalog Number:
AG0058AN
Chemical Name:
1(2H)-Naphthalenone, 2-ethyl-3,4-dihydro-5-hydroxy-
CAS Number:
78757-81-0
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C12H14O2/c1-2-8-6-7-9-10(12(8)14)4-3-5-11(9)13/h3-5,8,13H,2,6-7H2,1H3
InChI Key:
XBEXXKGEVYNVED-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1=O)cccc2O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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