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88669-74-3 | 1H-Tetrazole-1-propanoic acid, 5-(2-ethoxy-2-oxoethyl)-, methyl ester
CAS No: 88669-74-3 Catalog No: AG0047OY MDL No:
Product Description
Catalog Number:
AG0047OY
Chemical Name:
1H-Tetrazole-1-propanoic acid, 5-(2-ethoxy-2-oxoethyl)-, methyl ester
CAS Number:
88669-74-3
Molecular Formula:
C9H14N4O4
Molecular Weight:
242.2319
IUPAC Name:
methyl 3-[5-(2-ethoxy-2-oxoethyl)tetrazol-1-yl]propanoate
InChI:
InChI=1S/C9H14N4O4/c1-3-17-9(15)6-7-10-11-12-13(7)5-4-8(14)16-2/h3-6H2,1-2H3
InChI Key:
WEMZHSOQQNOEBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nnnn1CCC(=O)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.235g/mol
Monoisotopic Mass:
242.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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