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207597-75-9 | 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, (2E,4E,7S)-
CAS No: 207597-75-9 Catalog No: AG002J52 MDL No:
Product Description
Catalog Number:
AG002J52
Chemical Name:
2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, (2E,4E,7S)-
CAS Number:
207597-75-9
Molecular Formula:
C16H28O3
Molecular Weight:
268.3917
IUPAC Name:
(2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
InChI:
InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
InChI Key:
MNYBEULOKRVZKY-ATCPXPEISA-N
SMILES:
COC(CCC[C@@H](C/C=C/C(=C/C(=O)O)/C)C)(C)C
EC Number:
922-434-8
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
2
Exact Mass:
268.204g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.397g/mol
Monoisotopic Mass:
268.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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