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1590-21-2 | 2-Naphthalenebutanoic acid, γ-oxo-, methyl ester
CAS No: 1590-21-2 Catalog No: AG001R3A MDL No:
Product Description
Catalog Number:
AG001R3A
Chemical Name:
2-Naphthalenebutanoic acid, γ-oxo-, methyl ester
CAS Number:
1590-21-2
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
methyl 4-naphthalen-2-yl-4-oxobutanoate
InChI:
InChI=1S/C15H14O3/c1-18-15(17)9-8-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChI Key:
SUTZIVCVBFCEBY-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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