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87842-86-2 | 2-Buten-1-amine, N-(acetyloxy)-
CAS No: 87842-86-2 Catalog No: AG004ELH MDL No:
Product Description
Catalog Number:
AG004ELH
Chemical Name:
2-Buten-1-amine, N-(acetyloxy)-
CAS Number:
87842-86-2
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
(but-2-enylamino) acetate
InChI:
InChI=1S/C6H11NO2/c1-3-4-5-7-9-6(2)8/h3-4,7H,5H2,1-2H3
InChI Key:
PUJFSUOZPAKWME-UHFFFAOYSA-N
SMILES:
CC=CCNOC(=O)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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