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847392-22-7 | 2-Pentynal, 5-amino-
CAS No: 847392-22-7 Catalog No: AG004SA4 MDL No:
Product Description
Catalog Number:
AG004SA4
Chemical Name:
2-Pentynal, 5-amino-
CAS Number:
847392-22-7
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
IUPAC Name:
5-aminopent-2-ynal
InChI:
InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h5H,2,4,6H2
InChI Key:
UJWFHZLOIWWSSE-UHFFFAOYSA-N
SMILES:
NCCC#CC=O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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