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96107-88-9 | 2-METHYL-2H-TETRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS No: 96107-88-9 Catalog No: AG003HLV MDL No:
Product Description
Catalog Number:
AG003HLV
Chemical Name:
2-METHYL-2H-TETRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS Number:
96107-88-9
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
IUPAC Name:
methyl 2-methyltetrazole-5-carboxylate
InChI:
InChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)4(9)10-2/h1-2H3
InChI Key:
LYKWYPMQIVQQMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(n1)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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