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89855-08-3 | Propanal,3-(diethylamino)-
CAS No: 89855-08-3 Catalog No: AG003X30 MDL No:
Product Description
Catalog Number:
AG003X30
Chemical Name:
Propanal,3-(diethylamino)-
CAS Number:
89855-08-3
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
IUPAC Name:
3-(diethylamino)propanal
InChI:
InChI=1S/C7H15NO/c1-3-8(4-2)6-5-7-9/h7H,3-6H2,1-2H3
InChI Key:
HAJLVDIUJBRYPV-UHFFFAOYSA-N
SMILES:
CCN(CCC=O)CC
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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