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115298-62-9 | 2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 115298-62-9 Catalog No: AG000GKC MDL No:
Product Description
Catalog Number:
AG000GKC
Chemical Name:
2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
115298-62-9
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
tert-butyl naphthalene-2-carboxylate
InChI:
InChI=1S/C15H16O2/c1-15(2,3)17-14(16)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
InChI Key:
CEDBAUKSBZIMJQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)OC(C)(C)C
Properties
Complexity:
277
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:
4.6
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