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13672-43-0 | 1-Naphthalenebutanoic acid, γ-oxo-, methyl ester
CAS No: 13672-43-0 Catalog No: AG0012A9 MDL No:MFCD16432600
Product Description
Catalog Number:
AG0012A9
Chemical Name:
1-Naphthalenebutanoic acid, γ-oxo-, methyl ester
CAS Number:
13672-43-0
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD16432600
IUPAC Name:
methyl 4-naphthalen-1-yl-4-oxobutanoate
InChI:
InChI=1S/C15H14O3/c1-18-15(17)10-9-14(16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChI Key:
YCDARDMYSRGGGV-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1cccc2c1cccc2
NSC Number:
408422
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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