Home Other Building Blocks 5-CARBOXYVANILLIC ACID

5-CARBOXYVANILLIC ACID

CAS No.:
2134-91-0
Catalog Number:
AG00C3ID
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C3ID
Chemical Name:
5-CARBOXYVANILLIC ACID
CAS Number:
2134-91-0
MDL Number:
MFCD00016505
IUPAC Name:
4-hydroxy-5-methoxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)
InChI Key:
NLSSJYQPZIQJNC-UHFFFAOYSA-N
EC Number:
218-366-7
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
212.157g/mol
Monoisotopic Mass:
212.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Characterization of the 5-carboxyvanillate decarboxylase gene and its role in lignin-related biphenyl catabolism in Sphingomonas paucimobilis SYK-6. Applied and environmental microbiology 20020901
Properties