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114346-86-0 | Acetic acid, (imino-2-pyrazinylmethyl)azanyl ester
CAS No: 114346-86-0 Catalog No: AG000B52 MDL No:
Product Description
Catalog Number:
AG000B52
Chemical Name:
Acetic acid, (imino-2-pyrazinylmethyl)azanyl ester
CAS Number:
114346-86-0
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
[[amino(pyrazin-2-yl)methylidene]amino] acetate
InChI:
InChI=1S/C7H8N4O2/c1-5(12)13-11-7(8)6-4-9-2-3-10-6/h2-4H,1H3,(H2,8,11)
InChI Key:
IFLYPDSBWRMDKG-UHFFFAOYSA-N
SMILES:
CC(=O)ONC(=N)c1cnccn1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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