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30989-83-4 | Pentanal, 2-(aminomethylene)-
CAS No: 30989-83-4 Catalog No: AG0031UO MDL No:
Product Description
Catalog Number:
AG0031UO
Chemical Name:
Pentanal, 2-(aminomethylene)-
CAS Number:
30989-83-4
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
2-(aminomethylidene)pentanal
InChI:
InChI=1S/C6H11NO/c1-2-3-6(4-7)5-8/h4-5H,2-3,7H2,1H3
InChI Key:
JOLUWPGYJGRGLQ-UHFFFAOYSA-N
SMILES:
CCCC(=CN)C=O
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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