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88456-94-4 | 1,2-Propanediol, 3-[3-(decyloxy)-2-hydroxypropoxy]-
CAS No: 88456-94-4 Catalog No: AG004DL7 MDL No:
Product Description
Catalog Number:
AG004DL7
Chemical Name:
1,2-Propanediol, 3-[3-(decyloxy)-2-hydroxypropoxy]-
CAS Number:
88456-94-4
Molecular Formula:
C16H34O5
Molecular Weight:
306.4382
IUPAC Name:
3-(3-decoxy-2-hydroxypropoxy)propane-1,2-diol
InChI:
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-8-9-10-20-13-16(19)14-21-12-15(18)11-17/h15-19H,2-14H2,1H3
InChI Key:
WVYXRLHPNLXFLY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOCC(COCC(CO)O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.241g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.443g/mol
Monoisotopic Mass:
306.241g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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