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2876-62-2 | 1-Butanone, 1-(1-naphthalenyl)-
CAS No: 2876-62-2 Catalog No: AG002WDX MDL No:
Product Description
Catalog Number:
AG002WDX
Chemical Name:
1-Butanone, 1-(1-naphthalenyl)-
CAS Number:
2876-62-2
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-naphthalen-1-ylbutan-1-one
InChI:
InChI=1S/C14H14O/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChI Key:
HHEPNSXKXOXNQV-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cccc2c1cccc2
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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