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13098-89-0 | Butanoic acid, 1-naphthalenylmethyl ester
CAS No: 13098-89-0 Catalog No: AG000V7X MDL No:
Product Description
Catalog Number:
AG000V7X
Chemical Name:
Butanoic acid, 1-naphthalenylmethyl ester
CAS Number:
13098-89-0
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
naphthalen-1-ylmethyl butanoate
InChI:
InChI=1S/C15H16O2/c1-2-6-15(16)17-11-13-9-5-8-12-7-3-4-10-14(12)13/h3-5,7-10H,2,6,11H2,1H3
InChI Key:
FCPGUANAAQUCJO-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCc1cccc2c1cccc2
UNII:
LTQ04VT310
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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