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2224-00-2 | 2-Ethoxy-1-naphthoic acid
CAS No: 2224-00-2 Catalog No: AG003H5R MDL No:MFCD00004008
Product Description
Catalog Number:
AG003H5R
Chemical Name:
2-Ethoxy-1-naphthoic acid
CAS Number:
2224-00-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD00004008
IUPAC Name:
2-ethoxynaphthalene-1-carboxylic acid
InChI:
InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChI Key:
MYFBSSDLYGWAHH-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1C(=O)O)cccc2
EC Number:
218-745-7
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:
3
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