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131020-49-0 | 1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-, sulfate (1:1)
CAS No: 131020-49-0 Catalog No: AG000VCD MDL No:MFCD19440795
Product Description
Catalog Number:
AG000VCD
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-, sulfate (1:1)
CAS Number:
131020-49-0
Molecular Formula:
C8H12N2O6S
Molecular Weight:
264.2557
MDL Number:
MFCD19440795
IUPAC Name:
sulfuric acid;4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2.H2O4S/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;1-5(2,3)4/h4-5H,1-3H2,(H,9,10)(H,11,12);(H2,1,2,3,4)
InChI Key:
GVWWJFUZXREUDH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.OC(=O)C1CCc2c(C1)[nH]cn2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
264.252g/mol
Monoisotopic Mass:
264.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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