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13070-22-9 | 2-Propenal, 3-(diethylamino)-
CAS No: 13070-22-9 Catalog No: AG000UU7 MDL No:
Product Description
Catalog Number:
AG000UU7
Chemical Name:
2-Propenal, 3-(diethylamino)-
CAS Number:
13070-22-9
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
3-(diethylamino)prop-2-enal
InChI:
InChI=1S/C7H13NO/c1-3-8(4-2)6-5-7-9/h5-7H,3-4H2,1-2H3
InChI Key:
CDNUNBYFDWXUDK-UHFFFAOYSA-N
SMILES:
CCN(C=CC=O)CC
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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