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197356-15-3 | 3H-Pyrazolo[1,5-d]tetrazole-6-carboxylic acid
CAS No: 197356-15-3 Catalog No: AG002ARP MDL No:
Product Description
Catalog Number:
AG002ARP
Chemical Name:
3H-Pyrazolo[1,5-d]tetrazole-6-carboxylic acid
CAS Number:
197356-15-3
Molecular Formula:
C4H3N5O2
Molecular Weight:
153.0989
IUPAC Name:
3H-pyrazolo[5,1-e]tetrazole-6-carboxylic acid
InChI:
InChI=1S/C4H3N5O2/c10-4(11)2-1-3-5-7-8-9(3)6-2/h1H,(H,5,8)(H,10,11)
InChI Key:
NIJZDSQYUDYMDE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2n(n1)[nH]nn2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.101g/mol
Monoisotopic Mass:
153.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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