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Home Carboxys 2-(hydroxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

2-(hydroxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:
2060042-91-1
Catalog Number:
AG01BRVY
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
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Product Description
Catalog Number:
AG01BRVY
Chemical Name:
2-(hydroxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CAS Number:
2060042-91-1
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
MDL Number:
MFCD30535916
IUPAC Name:
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H10N2O3.ClH/c1-12-8-3-2-6(10(14)15)4-7(8)11-9(12)5-13;/h2-4,13H,5H2,1H3,(H,14,15);1H
InChI Key:
VGMGFDBLTSGVQC-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1C)ccc(c2)C(=O)O.Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties