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130790-60-2 | 6-Octene-2,3-diol, 2,6-dimethyl-8-(phenylmethoxy)-, (3R,6E)-
CAS No: 130790-60-2 Catalog No: AG000UYD MDL No:
Product Description
Catalog Number:
AG000UYD
Chemical Name:
6-Octene-2,3-diol, 2,6-dimethyl-8-(phenylmethoxy)-, (3R,6E)-
CAS Number:
130790-60-2
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
InChI:
InChI=1S/C17H26O3/c1-14(9-10-16(18)17(2,3)19)11-12-20-13-15-7-5-4-6-8-15/h4-8,11,16,18-19H,9-10,12-13H2,1-3H3
InChI Key:
XJQJQVZHPATDQZ-UHFFFAOYSA-N
SMILES:
C/C(=C\COCc1ccccc1)/CC[C@H](C(O)(C)C)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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