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156942-67-5 | 2-Naphthaleneacetic acid, α-methoxy-, (αR)-
CAS No: 156942-67-5 Catalog No: AG001P48 MDL No:
Product Description
Catalog Number:
AG001P48
Chemical Name:
2-Naphthaleneacetic acid, α-methoxy-, (αR)-
CAS Number:
156942-67-5
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
(2R)-2-methoxy-2-naphthalen-2-ylacetic acid
InChI:
InChI=1S/C13H12O3/c1-16-12(13(14)15)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3,(H,14,15)/t12-/m1/s1
InChI Key:
OQVFHDWREDKUCW-GFCCVEGCSA-N
SMILES:
CO[C@H](c1ccc2c(c1)cccc2)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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