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Home Carboxys 2-methyl-1H-benzimidazole-4-carboxylic acid dihydrate

2-methyl-1H-benzimidazole-4-carboxylic acid dihydrate

CAS No.:
1609401-28-6
Catalog Number:
AG00J1S1
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J1S1
Chemical Name:
2-methyl-1H-benzimidazole-4-carboxylic acid dihydrate
CAS Number:
1609401-28-6
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD28024669
IUPAC Name:
2-methyl-1H-benzimidazole-4-carboxylic acid;dihydrate
InChI:
InChI=1S/C9H8N2O2.2H2O/c1-5-10-7-4-2-3-6(9(12)13)8(7)11-5;;/h2-4H,1H3,(H,10,11)(H,12,13);2*1H2
InChI Key:
IURRFCXHERPOCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1nc([nH]2)C.O.O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties