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88239-09-2 | 2-Butenenitrile, 3-amino-4-ethoxy-, (E)-
CAS No: 88239-09-2 Catalog No: AG004B1Q MDL No:
Product Description
Catalog Number:
AG004B1Q
Chemical Name:
2-Butenenitrile, 3-amino-4-ethoxy-, (E)-
CAS Number:
88239-09-2
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
3-amino-4-ethoxybut-2-enenitrile
InChI:
InChI=1S/C6H10N2O/c1-2-9-5-6(8)3-4-7/h3H,2,5,8H2,1H3
InChI Key:
KPTJREOESFSXNE-UHFFFAOYSA-N
SMILES:
CCOC/C(=C\C#N)/N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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