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127721-15-7 | 2-Naphthalenecarboxylic acid, 1-methoxy-, 1-methylethyl ester
CAS No: 127721-15-7 Catalog No: AG000XC9 MDL No:
Product Description
Catalog Number:
AG000XC9
Chemical Name:
2-Naphthalenecarboxylic acid, 1-methoxy-, 1-methylethyl ester
CAS Number:
127721-15-7
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
propan-2-yl 1-methoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C15H16O3/c1-10(2)18-15(16)13-9-8-11-6-4-5-7-12(11)14(13)17-3/h4-10H,1-3H3
InChI Key:
VIBOBSYTYOAVGE-UHFFFAOYSA-N
SMILES:
COc1c(ccc2c1cccc2)C(=O)OC(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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