Home Carboxys 1-Methyl-naphthalene-2-carboxylic acid

1-Methyl-naphthalene-2-carboxylic acid

CAS No.:
4488-44-2
Catalog Number:
AG01DMQM
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
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Product Description
Catalog Number:
AG01DMQM
Chemical Name:
1-Methyl-naphthalene-2-carboxylic acid
CAS Number:
4488-44-2
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD00094233
IUPAC Name:
1-methylnaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H10O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
IDTDAMGQDWDZEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1C)cccc2
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:
3.1  
Properties