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113592-82-8 | 2,4-Octadienoic acid, 8-hydroxy-6-methyl-, (E,E)- (9CI)
CAS No: 113592-82-8 Catalog No: AG00093L MDL No:
Product Description
Catalog Number:
AG00093L
Chemical Name:
2,4-Octadienoic acid, 8-hydroxy-6-methyl-, (E,E)- (9CI)
CAS Number:
113592-82-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
8-hydroxy-6-methylocta-2,4-dienoic acid
InChI:
InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)
InChI Key:
KFHQGKGXRZPBOB-UHFFFAOYSA-N
SMILES:
OCCC(/C=C/C=C/C(=O)O)C
Properties
Complexity:
182
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:
2
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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