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88714-53-8 | 2,4-Hexadienoic acid, 6-hydroxy-3-methyl-, ethyl ester, (E,E)-
CAS No: 88714-53-8 Catalog No: AG0045DE MDL No:
Product Description
Catalog Number:
AG0045DE
Chemical Name:
2,4-Hexadienoic acid, 6-hydroxy-3-methyl-, ethyl ester, (E,E)-
CAS Number:
88714-53-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
ethyl 6-hydroxy-3-methylhexa-2,4-dienoate
InChI:
InChI=1S/C9H14O3/c1-3-12-9(11)7-8(2)5-4-6-10/h4-5,7,10H,3,6H2,1-2H3
InChI Key:
YHJOSAHZRXBLLI-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/C=C/CO)\C
Properties
Complexity:
192
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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