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53953-85-8 | 4,9-Decadienal, 8-hydroxy-4,8-dimethyl-, (4E)-
CAS No: 53953-85-8 Catalog No: AG000AHT MDL No:
Product Description
Catalog Number:
AG000AHT
Chemical Name:
4,9-Decadienal, 8-hydroxy-4,8-dimethyl-, (4E)-
CAS Number:
53953-85-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
(4E)-8-hydroxy-4,8-dimethyldeca-4,9-dienal
InChI:
InChI=1S/C12H20O2/c1-4-12(3,14)9-5-7-11(2)8-6-10-13/h4,7,10,14H,1,5-6,8-9H2,2-3H3/b11-7+
InChI Key:
YHHPBYNAHAIMNQ-YRNVUSSQSA-N
SMILES:
O=CCC/C(=C/CCC(C=C)(O)C)/C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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