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88670-15-9 | 1H-Tetrazole-5-acetic acid, 1,1-dimethylethyl ester
CAS No: 88670-15-9 Catalog No: AG0048DD MDL No:
Product Description
Catalog Number:
AG0048DD
Chemical Name:
1H-Tetrazole-5-acetic acid, 1,1-dimethylethyl ester
CAS Number:
88670-15-9
Molecular Formula:
C7H12N4O2
Molecular Weight:
184.1958
IUPAC Name:
tert-butyl 2-(2H-tetrazol-5-yl)acetate
InChI:
InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)4-5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11)
InChI Key:
RUQHEXABOSLJSV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cc1nnn[nH]1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.199g/mol
Monoisotopic Mass:
184.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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