Home Carboxys 5-methylnaphthalene-1-carboxylic acid

5-methylnaphthalene-1-carboxylic acid

CAS No.:
4527-60-0
Catalog Number:
AG01A2WA
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
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Product Description
Catalog Number:
AG01A2WA
Chemical Name:
5-methylnaphthalene-1-carboxylic acid
CAS Number:
4527-60-0
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD18415107
IUPAC Name:
5-methylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
VLEZTIKHFUAVRK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1cccc2C
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
Characterization of the azinomycin B biosynthetic gene cluster revealing a different iterative type I polyketide synthase for naphthoate biosynthesis. Chemistry & biology 20080721
Properties