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116980-49-5 | 2-Propanone, 1-(1-methyl-1H-tetrazol-5-yl)-
CAS No: 116980-49-5 Catalog No: AG000DGP MDL No:
Product Description
Catalog Number:
AG000DGP
Chemical Name:
2-Propanone, 1-(1-methyl-1H-tetrazol-5-yl)-
CAS Number:
116980-49-5
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
IUPAC Name:
1-(1-methyltetrazol-5-yl)propan-2-one
InChI:
InChI=1S/C5H8N4O/c1-4(10)3-5-6-7-8-9(5)2/h3H2,1-2H3
InChI Key:
SVSIFSYMGOXKHD-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1nnnn1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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