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88973-79-9 | 2,4-Hexadienoic acid, 3-(dimethylamino)propyl ester, (E,E)-
CAS No: 88973-79-9 Catalog No: AG0045RN MDL No:
Product Description
Catalog Number:
AG0045RN
Chemical Name:
2,4-Hexadienoic acid, 3-(dimethylamino)propyl ester, (E,E)-
CAS Number:
88973-79-9
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
3-(dimethylamino)propyl hexa-2,4-dienoate
InChI:
InChI=1S/C11H19NO2/c1-4-5-6-8-11(13)14-10-7-9-12(2)3/h4-6,8H,7,9-10H2,1-3H3
InChI Key:
JQURFQLEBBJYAJ-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OCCCN(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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