Home Other Building Blocks 6-formyl-2-hydroxy-3-methoxybenzoic acid

6-formyl-2-hydroxy-3-methoxybenzoic acid

CAS No.:
4743-49-1
Catalog Number:
AG01BXG5
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG01BXG5
Chemical Name:
6-formyl-2-hydroxy-3-methoxybenzoic acid
CAS Number:
4743-49-1
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD08693211
IUPAC Name:
6-formyl-2-hydroxy-3-methoxybenzoic acid
InChI:
InChI=1S/C9H8O5/c1-14-6-3-2-5(4-10)7(8(6)11)9(12)13/h2-4,11H,1H3,(H,12,13)
InChI Key:
QUVZZWRSELJNTJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1O)C(=O)O)C=O
Properties
Complexity:
227  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties