Home Other Building Blocks 3-formyl-4-hydroxy-5-methoxybenzoic acid

3-formyl-4-hydroxy-5-methoxybenzoic acid

CAS No.:
712-53-8
Catalog Number:
AG01BXJA
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG01BXJA
Chemical Name:
3-formyl-4-hydroxy-5-methoxybenzoic acid
CAS Number:
712-53-8
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD20638456
IUPAC Name:
3-formyl-4-hydroxy-5-methoxybenzoic acid
InChI:
InChI=1S/C9H8O5/c1-14-7-3-5(9(12)13)2-6(4-10)8(7)11/h2-4,11H,1H3,(H,12,13)
InChI Key:
NVMAXLFQPXSKTG-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)C=O)C(=O)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:
1.1  
Properties