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130675-16-0 | 1,7-Octanediol, 3-ethenyl-1-(4-methoxyphenyl)-3,7-dimethyl-, [R-(R*,R*)]- (9CI)
CAS No: 130675-16-0 Catalog No: AG000UST MDL No:
Product Description
Catalog Number:
AG000UST
Chemical Name:
1,7-Octanediol, 3-ethenyl-1-(4-methoxyphenyl)-3,7-dimethyl-, [R-(R*,R*)]- (9CI)
CAS Number:
130675-16-0
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
3-ethenyl-1-(4-methoxyphenyl)-3,7-dimethyloctane-1,7-diol
InChI:
InChI=1S/C19H30O3/c1-6-19(4,13-7-12-18(2,3)21)14-17(20)15-8-10-16(22-5)11-9-15/h6,8-11,17,20-21H,1,7,12-14H2,2-5H3
InChI Key:
BNSRMGLMWXGBOT-UHFFFAOYSA-N
SMILES:
C=CC(C[C@H](c1ccc(cc1)OC)O)(CCCC(O)(C)C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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