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86966-02-1 | Propanenitrile, 2-amino-3-methoxy-
CAS No: 86966-02-1 Catalog No: AG004O6M MDL No:MFCD00152622
Product Description
Catalog Number:
AG004O6M
Chemical Name:
Propanenitrile, 2-amino-3-methoxy-
CAS Number:
86966-02-1
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
MDL Number:
MFCD00152622
IUPAC Name:
2-amino-3-methoxypropanenitrile
InChI:
InChI=1S/C4H8N2O/c1-7-3-4(6)2-5/h4H,3,6H2,1H3
InChI Key:
RPGPPCHMKDWLRT-UHFFFAOYSA-N
SMILES:
COCC(C#N)N
Properties
Complexity:
82.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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