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30989-86-7 | Heptanal, 2-(aminomethylene)-
CAS No: 30989-86-7 Catalog No: AG0031UN MDL No:
Product Description
Catalog Number:
AG0031UN
Chemical Name:
Heptanal, 2-(aminomethylene)-
CAS Number:
30989-86-7
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
IUPAC Name:
2-(aminomethylidene)heptanal
InChI:
InChI=1S/C8H15NO/c1-2-3-4-5-8(6-9)7-10/h6-7H,2-5,9H2,1H3
InChI Key:
PVHDIHMVDVBZQL-UHFFFAOYSA-N
SMILES:
CCCCCC(=CN)C=O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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