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16738-12-8 | 1-Naphthaleneacetic acid, α-oxo-, methyl ester
CAS No: 16738-12-8 Catalog No: AG001XC4 MDL No:
Product Description
Catalog Number:
AG001XC4
Chemical Name:
1-Naphthaleneacetic acid, α-oxo-, methyl ester
CAS Number:
16738-12-8
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
methyl 2-naphthalen-1-yl-2-oxoacetate
InChI:
InChI=1S/C13H10O3/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChI Key:
SZAFHPVKHPLRRD-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cccc2c1cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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