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Home Other Building Blocks 3-Formylbenzoic acid

3-Formylbenzoic acid

CAS No.:
619-21-6
Catalog Number:
AG0033N8
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$55
- +
10g
95%
In Stock USA
United States
$94
- +
25g
95%
In Stock USA
United States
$188
- +
100g
95%
In Stock USA
United States
$582
- +
Product Description
Catalog Number:
AG0033N8
Chemical Name:
3-Formylbenzoic acid
CAS Number:
619-21-6
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD00039575
IUPAC Name:
3-formylbenzoic acid
InChI:
InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
InChI Key:
UHDNUPHSDMOGCR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(=O)O
EC Number:
210-585-6
UNII:
HB95GRM95D
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Rational substrate and enzyme engineering of transketolase for aromatics. Organic & biomolecular chemistry 20121207
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. Journal of medicinal chemistry 20091008
Impact of linker strain and flexibility in the design of a fragment-based inhibitor. Nature chemical biology 20090601
ELISA for semicarbazide and its application for screening in food contamination. Analytica chimica acta 20080204
Properties