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17666-88-5 | 1-Butanone, 1-(2-naphthalenyl)-
CAS No: 17666-88-5 Catalog No: AG0024T5 MDL No:
Product Description
Catalog Number:
AG0024T5
Chemical Name:
1-Butanone, 1-(2-naphthalenyl)-
CAS Number:
17666-88-5
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-naphthalen-2-ylbutan-1-one
InChI:
InChI=1S/C14H14O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChI Key:
VJQCIRJFGLWMGL-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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