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91616-41-0 | 1-METHYL-1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
CAS No: 91616-41-0 Catalog No: AG003EHB MDL No:
Product Description
Catalog Number:
AG003EHB
Chemical Name:
1-METHYL-1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
91616-41-0
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
IUPAC Name:
ethyl 1-methyltetrazole-5-carboxylate
InChI:
InChI=1S/C5H8N4O2/c1-3-11-5(10)4-6-7-8-9(4)2/h3H2,1-2H3
InChI Key:
JMPPMYKMIXZZRM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnnn1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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