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89065-92-9 | 4-Decenoic acid, 8-hydroxy-4,9-dimethyl-, (E)-
CAS No: 89065-92-9 Catalog No: AG0041AF MDL No:
Product Description
Catalog Number:
AG0041AF
Chemical Name:
4-Decenoic acid, 8-hydroxy-4,9-dimethyl-, (E)-
CAS Number:
89065-92-9
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
8-hydroxy-4,9-dimethyldec-4-enoic acid
InChI:
InChI=1S/C12H22O3/c1-9(2)11(13)6-4-5-10(3)7-8-12(14)15/h5,9,11,13H,4,6-8H2,1-3H3,(H,14,15)
InChI Key:
QNJUBZJEKCMNJL-UHFFFAOYSA-N
SMILES:
OC(=O)CC/C(=C/CCC(C(C)C)O)/C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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