Home Aminos 2,4-Pentanedione,3-(aminomethylene)-

2,4-Pentanedione,3-(aminomethylene)-

CAS No.:
71591-87-2
Catalog Number:
AG005S7L
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG005S7L
Chemical Name:
2,4-Pentanedione,3-(aminomethylene)-
CAS Number:
71591-87-2
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD01111589
IUPAC Name:
(Z)-4-hydroxy-3-methanimidoylpent-3-en-2-one
InChI:
InChI=1S/C6H9NO2/c1-4(8)6(3-7)5(2)9/h3,7-8H,1-2H3/b6-4-,7-3?
InChI Key:
BMGPWEKVYXCJFY-XINLLTGXSA-N
SMILES:
NC=C(C(=O)C)C(=O)C
NSC Number:
48097
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties