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117356-36-2 | 2-Naphthaleneacetic acid, 7-methoxy-
CAS No: 117356-36-2 Catalog No: AG000E6O MDL No:
Product Description
Catalog Number:
AG000E6O
Chemical Name:
2-Naphthaleneacetic acid, 7-methoxy-
CAS Number:
117356-36-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2-(7-methoxynaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C13H12O3/c1-16-12-5-4-10-3-2-9(7-13(14)15)6-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)
InChI Key:
AFTYSXXWLOFWDY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(cc2)CC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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