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88973-69-7 | 2,4-Hexadienoic acid, 2-methoxyethyl ester, (E,E)-
CAS No: 88973-69-7 Catalog No: AG0045BJ MDL No:
Product Description
Catalog Number:
AG0045BJ
Chemical Name:
2,4-Hexadienoic acid, 2-methoxyethyl ester, (E,E)-
CAS Number:
88973-69-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2-methoxyethyl hexa-2,4-dienoate
InChI:
InChI=1S/C9H14O3/c1-3-4-5-6-9(10)12-8-7-11-2/h3-6H,7-8H2,1-2H3
InChI Key:
PZEMXICXOFJFDI-UHFFFAOYSA-N
SMILES:
COCCOC(=O)/C=C/C=C/C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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