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101123-27-7 | 1,2-Propanediol, 3-(octadecadienyloxy)-
CAS No: 101123-27-7 Catalog No: AG0003RX MDL No:
Product Description
Catalog Number:
AG0003RX
Chemical Name:
1,2-Propanediol, 3-(octadecadienyloxy)-
CAS Number:
101123-27-7
Molecular Formula:
C21H40O3
Molecular Weight:
340.5405
IUPAC Name:
3-octadeca-1,3-dienoxypropane-1,2-diol
InChI:
InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h15-18,21-23H,2-14,19-20H2,1H3
InChI Key:
DVTOEEFUWIWJBV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC=CC=COCC(CO)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.298g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.548g/mol
Monoisotopic Mass:
340.298g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
7.3
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