Home Carboxys 8-Methylnaphthalene-1-carboxylic acid

8-Methylnaphthalene-1-carboxylic acid

CAS No.:
19310-98-6
Catalog Number:
AG00AKJE
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
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Product Description
Catalog Number:
AG00AKJE
Chemical Name:
8-Methylnaphthalene-1-carboxylic acid
CAS Number:
19310-98-6
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD00796468
IUPAC Name:
8-methylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O2/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
FLBHUCKQJRXXQB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(C)ccc2
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