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123810-43-5 | 5H-Pyrrolotetrazole, 7-methyl-
CAS No: 123810-43-5 Catalog No: AG000L4M MDL No:
Product Description
Catalog Number:
AG000L4M
Chemical Name:
5H-Pyrrolotetrazole, 7-methyl-
CAS Number:
123810-43-5
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
IUPAC Name:
7-methyl-5H-pyrrolo[2,1-e]tetrazole
InChI:
InChI=1S/C5H6N4/c1-4-2-3-9-5(4)6-7-8-9/h2H,3H2,1H3
InChI Key:
BWBGTCHRXFJPBI-UHFFFAOYSA-N
SMILES:
CC1=CCn2c1nnn2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.131g/mol
Monoisotopic Mass:
122.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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