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77899-03-7 | 1-Heneicosanol,1-formate
CAS No: 77899-03-7 Catalog No: AG005EI7 MDL No:
Product Description
Catalog Number:
AG005EI7
Chemical Name:
1-Heneicosanol,1-formate
CAS Number:
77899-03-7
Molecular Formula:
C22H44O2
Molecular Weight:
340.5836
IUPAC Name:
henicosyl formate
InChI:
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3
InChI Key:
ZMGJNJFHZNMVCW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCOC=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.334g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.592g/mol
Monoisotopic Mass:
340.334g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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