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136388-35-7 | 2-Naphthalenecarboxylic acid, 8-(3-oxopropyl)-, methyl ester
CAS No: 136388-35-7 Catalog No: AG0011U1 MDL No:
Product Description
Catalog Number:
AG0011U1
Chemical Name:
2-Naphthalenecarboxylic acid, 8-(3-oxopropyl)-, methyl ester
CAS Number:
136388-35-7
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
methyl 8-(3-oxopropyl)naphthalene-2-carboxylate
InChI:
InChI=1S/C15H14O3/c1-18-15(17)13-8-7-12-5-2-4-11(6-3-9-16)14(12)10-13/h2,4-5,7-10H,3,6H2,1H3
InChI Key:
QFXWUCBCFKSKSH-UHFFFAOYSA-N
SMILES:
O=CCCc1cccc2c1cc(cc2)C(=O)OC
Properties
Complexity:
300
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:
2.7
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