Home Carboxys 6-methylnaphthalene-1-carboxylic Acid

6-methylnaphthalene-1-carboxylic Acid

CAS No.:
6315-19-1
Catalog Number:
AG00373Y
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00373Y
Chemical Name:
6-methylnaphthalene-1-carboxylic Acid
CAS Number:
6315-19-1
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD00092712
IUPAC Name:
6-methylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O2/c1-8-5-6-10-9(7-8)3-2-4-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
CQEFVJGDGBHWKH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cccc2C(=O)O
NSC Number:
20715
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Disposition and metabolism of 1,6-dimethylnaphthalene in rats. Toxicology letters 20020805
Properties