Home Carboxys 2,6-dimethylnaphthalene-1-carboxylic acid

2,6-dimethylnaphthalene-1-carboxylic acid

CAS No.:
33121-71-0
Catalog Number:
AG01BS5Q
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
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Product Description
Catalog Number:
AG01BS5Q
Chemical Name:
2,6-dimethylnaphthalene-1-carboxylic acid
CAS Number:
33121-71-0
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
MDL Number:
MFCD24479723
IUPAC Name:
2,6-dimethylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C13H12O2/c1-8-3-6-11-10(7-8)5-4-9(2)12(11)13(14)15/h3-7H,1-2H3,(H,14,15)
InChI Key:
IWEATXLWFWACOA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(c2C(=O)O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties