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17980-22-2 | 1,3-Butanedione, 1-(1-naphthalenyl)-
CAS No: 17980-22-2 Catalog No: AG00279U MDL No:
Product Description
Catalog Number:
AG00279U
Chemical Name:
1,3-Butanedione, 1-(1-naphthalenyl)-
CAS Number:
17980-22-2
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
1-naphthalen-1-ylbutane-1,3-dione
InChI:
InChI=1S/C14H12O2/c1-10(15)9-14(16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3
InChI Key:
LITQIHAOWYLZGO-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1cccc2c1cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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