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884504-87-4 | 6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
CAS No: 884504-87-4 Catalog No: AG004GTT MDL No:MFCD05864576
Product Description
Catalog Number:
AG004GTT
Chemical Name:
6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
CAS Number:
884504-87-4
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD05864576
IUPAC Name:
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
InChI:
InChI=1S/C6H7N3O2/c10-6(11)5-8-7-4-2-1-3-9(4)5/h1-3H2,(H,10,11)
InChI Key:
UOWJJYRMEMYUMS-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnc2n1CCC2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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