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26240-90-4 | 1H-Tetrazole-1-acetic acid, ethyl ester
CAS No: 26240-90-4 Catalog No: AG002SFP MDL No:MFCD05241302
Product Description
Catalog Number:
AG002SFP
Chemical Name:
1H-Tetrazole-1-acetic acid, ethyl ester
CAS Number:
26240-90-4
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD05241302
IUPAC Name:
ethyl 2-(tetrazol-1-yl)acetate
InChI:
InChI=1S/C5H8N4O2/c1-2-11-5(10)3-9-4-6-7-8-9/h4H,2-3H2,1H3
InChI Key:
XEMPQKCXNIIWSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnnn1
EC Number:
607-892-6
Properties
Complexity:
140
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:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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