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160205-15-2 | 5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid, 6,7-dihydro-3-methyl-
CAS No: 160205-15-2 Catalog No: AG001RQY MDL No:
Product Description
Catalog Number:
AG001RQY
Chemical Name:
5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid, 6,7-dihydro-3-methyl-
CAS Number:
160205-15-2
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid
InChI:
InChI=1S/C7H9N3O2/c1-4-8-9-6-3-2-5(7(11)12)10(4)6/h5H,2-3H2,1H3,(H,11,12)
InChI Key:
PCTUHZHKVNSBPJ-UHFFFAOYSA-N
SMILES:
Cc1nnc2n1C(CC2)C(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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