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146535-90-2 | 2H-Tetrazole-2-acetic acid, 5-(4-pyridinyl)-, ethyl ester
CAS No: 146535-90-2 Catalog No: AG001E47 MDL No:
Product Description
Catalog Number:
AG001E47
Chemical Name:
2H-Tetrazole-2-acetic acid, 5-(4-pyridinyl)-, ethyl ester
CAS Number:
146535-90-2
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
IUPAC Name:
ethyl 2-(5-pyridin-4-yltetrazol-2-yl)acetate
InChI:
InChI=1S/C10H11N5O2/c1-2-17-9(16)7-15-13-10(12-14-15)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3
InChI Key:
MJVHPEGMSZFPRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nnc(n1)c1ccncc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.231g/mol
Monoisotopic Mass:
233.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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