Home Carboxys 1,3-Benzodioxole-5-carboxylic acid, 6-methoxy-

1,3-Benzodioxole-5-carboxylic acid, 6-methoxy-

CAS No.:
7168-93-6
Catalog Number:
AG005QPR
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG005QPR
Chemical Name:
1,3-Benzodioxole-5-carboxylic acid, 6-methoxy-
CAS Number:
7168-93-6
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD16061365
IUPAC Name:
6-methoxy-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C9H8O5/c1-12-6-3-8-7(13-4-14-8)2-5(6)9(10)11/h2-3H,4H2,1H3,(H,10,11)
InChI Key:
KISJQBUVHAHZFD-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties