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130675-14-8 | 2,8-Nonanediol, 4-ethenyl-4,8-dimethyl-1-(phenylmethoxy)-, [R-(R*,R*)]- (9CI)
CAS No: 130675-14-8 Catalog No: AG000USV MDL No:MFCD09033769
Product Description
Catalog Number:
AG000USV
Chemical Name:
2,8-Nonanediol, 4-ethenyl-4,8-dimethyl-1-(phenylmethoxy)-, [R-(R*,R*)]- (9CI)
CAS Number:
130675-14-8
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
MDL Number:
MFCD09033769
IUPAC Name:
(2R,4R)-4-ethenyl-4,8-dimethyl-1-phenylmethoxynonane-2,8-diol
InChI:
InChI=1S/C20H32O3/c1-5-20(4,13-9-12-19(2,3)22)14-18(21)16-23-15-17-10-7-6-8-11-17/h5-8,10-11,18,21-22H,1,9,12-16H2,2-4H3/t18-,20-/m1/s1
InChI Key:
DTOYIIPWMBSADM-UYAOXDASSA-N
SMILES:
C=C[C@@](C[C@H](COCc1ccccc1)O)(CCCC(O)(C)C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
320.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.473g/mol
Monoisotopic Mass:
320.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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