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838827-32-0 | Methanimidic acid, N-(4-cyano-1H-pyrazol-3-yl)-, ethyl ester
CAS No: 838827-32-0 Catalog No: AG004VGE MDL No:
Product Description
Catalog Number:
AG004VGE
Chemical Name:
Methanimidic acid, N-(4-cyano-1H-pyrazol-3-yl)-, ethyl ester
CAS Number:
838827-32-0
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
ethyl N-(4-cyano-1H-pyrazol-5-yl)methanimidate
InChI:
InChI=1S/C7H8N4O/c1-2-12-5-9-7-6(3-8)4-10-11-7/h4-5H,2H2,1H3,(H,10,11)
InChI Key:
UHBUPOJDYPEQHH-UHFFFAOYSA-N
SMILES:
CCOC=Nc1n[nH]cc1C#N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of some new pyrazole, fused pyrazolo[3,4-d]-pyrimidine and pyrazolo[4,3-e][1,2,4]-triazolo[1,5-c]pyrimidine derivatives. | Molecules (Basel, Switzerland) 20080729 |
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