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113485-71-5 | 3-Buten-2-ol, 1-(hexadecyloxy)-
CAS No: 113485-71-5 Catalog No: AG0008Q2 MDL No:
Product Description
Catalog Number:
AG0008Q2
Chemical Name:
3-Buten-2-ol, 1-(hexadecyloxy)-
CAS Number:
113485-71-5
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
1-hexadecoxybut-3-en-2-ol
InChI:
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20(21)4-2/h4,20-21H,2-3,5-19H2,1H3
InChI Key:
XWIWEORRSJZIQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(C=C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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