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101513-13-7 | 2-Naphthalenecarboxylic acid, 6-(1-methylethyl)-, methyl ester
CAS No: 101513-13-7 Catalog No: AG0004O7 MDL No:
Product Description
Catalog Number:
AG0004O7
Chemical Name:
2-Naphthalenecarboxylic acid, 6-(1-methylethyl)-, methyl ester
CAS Number:
101513-13-7
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
methyl 6-propan-2-ylnaphthalene-2-carboxylate
InChI:
InChI=1S/C15H16O2/c1-10(2)11-4-5-13-9-14(15(16)17-3)7-6-12(13)8-11/h4-10H,1-3H3
InChI Key:
LJVPZIPTHLHTQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccc(c2)C(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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