Home Other Building Blocks 2-hydroxy-2,2-bis(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid dihydrochloride

2-hydroxy-2,2-bis(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid dihydrochloride

CAS No.:
2126176-77-8
Catalog Number:
AG01EKEX
Molecular Formula:
C8H12Cl2N6O3
Molecular Weight:
311.1253
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Product Description
Catalog Number:
AG01EKEX
Chemical Name:
2-hydroxy-2,2-bis(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid dihydrochloride
CAS Number:
2126176-77-8
Molecular Formula:
C8H12Cl2N6O3
Molecular Weight:
311.1253
MDL Number:
MFCD31381119
IUPAC Name:
2-hydroxy-2,2-bis(2-methyl-1,2,4-triazol-3-yl)acetic acid;dihydrochloride
InChI:
InChI=1S/C8H10N6O3.2ClH/c1-13-5(9-3-11-13)8(17,7(15)16)6-10-4-12-14(6)2;;/h3-4,17H,1-2H3,(H,15,16);2*1H
InChI Key:
KGVRPQQKYGBTRV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ncnn1C)(c1ncnn1C)O.Cl.Cl
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.035g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
311.123g/mol
Monoisotopic Mass:
310.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties