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88973-84-6 | 2,4-Hexadienoic acid, 2-pyridinylmethyl ester, (E,E)-
CAS No: 88973-84-6 Catalog No: AG0045BF MDL No:
Product Description
Catalog Number:
AG0045BF
Chemical Name:
2,4-Hexadienoic acid, 2-pyridinylmethyl ester, (E,E)-
CAS Number:
88973-84-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
pyridin-2-ylmethyl hexa-2,4-dienoate
InChI:
InChI=1S/C12H13NO2/c1-2-3-4-8-12(14)15-10-11-7-5-6-9-13-11/h2-9H,10H2,1H3
InChI Key:
TVRPUWKHFGIFCI-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OCc1ccccn1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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