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23130-34-9 | 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester
CAS No: 23130-34-9 Catalog No: AG002MAR MDL No:
Product Description
Catalog Number:
AG002MAR
Chemical Name:
2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester
CAS Number:
23130-34-9
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
ethyl 2-acetyl-5-(dimethylamino)penta-2,4-dienoate
InChI:
InChI=1S/C11H17NO3/c1-5-15-11(14)10(9(2)13)7-6-8-12(3)4/h6-8H,5H2,1-4H3
InChI Key:
YIJHRQWIUWJINF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC=CN(C)C)C(=O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.1
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