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13175-00-3 | 2H-Tetrazole-5-carboxylic acid, 2-methyl-
CAS No: 13175-00-3 Catalog No: AG000ZP6 MDL No:MFCD19228302
Product Description
Catalog Number:
AG000ZP6
Chemical Name:
2H-Tetrazole-5-carboxylic acid, 2-methyl-
CAS Number:
13175-00-3
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
MDL Number:
MFCD19228302
IUPAC Name:
2-methyltetrazole-5-carboxylic acid
InChI:
InChI=1S/C3H4N4O2/c1-7-5-2(3(8)9)4-6-7/h1H3,(H,8,9)
InChI Key:
VQHZPBXUOJDGTE-UHFFFAOYSA-N
SMILES:
Cn1nnc(n1)C(=O)O
NSC Number:
282055
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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