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73256-44-7 | 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester
CAS No: 73256-44-7 Catalog No: AG005FIM MDL No:
Product Description
Catalog Number:
AG005FIM
Chemical Name:
3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester
CAS Number:
73256-44-7
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
methyl 2-(diethylamino)-3-ethylpenta-3,4-dienoate
InChI:
InChI=1S/C12H21NO2/c1-6-10(7-2)11(12(14)15-5)13(8-3)9-4/h11H,1,7-9H2,2-5H3
InChI Key:
RMRHIPATFGYXCI-UHFFFAOYSA-N
SMILES:
CCN(C(C(=C=C)CC)C(=O)OC)CC
Properties
Complexity:
250
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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