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84158-10-1 | 2-Propen-1-amine, acetate
CAS No: 84158-10-1 Catalog No: AG004SGZ MDL No:
Product Description
Catalog Number:
AG004SGZ
Chemical Name:
2-Propen-1-amine, acetate
CAS Number:
84158-10-1
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
IUPAC Name:
acetic acid;prop-2-en-1-amine
InChI:
InChI=1S/C3H7N.C2H4O2/c1-2-3-4;1-2(3)4/h2H,1,3-4H2;1H3,(H,3,4)
InChI Key:
VRQIXCOIBHRSSE-UHFFFAOYSA-N
SMILES:
CC(=O)O.NCC=C
Properties
Complexity:
48.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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