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113398-32-6 | Cyclohexanone, 2-[(1-hydroxy-2-naphthalenyl)methyl]-
CAS No: 113398-32-6 Catalog No: AG0008EX MDL No:
Product Description
Catalog Number:
AG0008EX
Chemical Name:
Cyclohexanone, 2-[(1-hydroxy-2-naphthalenyl)methyl]-
CAS Number:
113398-32-6
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
2-[(1-hydroxynaphthalen-2-yl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C17H18O2/c18-16-8-4-2-6-13(16)11-14-10-9-12-5-1-3-7-15(12)17(14)19/h1,3,5,7,9-10,13,19H,2,4,6,8,11H2
InChI Key:
AANJHJBJXUSDRX-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1ccc2c(c1O)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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