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189124-21-8 | 2-Propynal, 3-[3,4-bis(decyloxy)phenyl]-
CAS No: 189124-21-8 Catalog No: AG002HWR MDL No:
Product Description
Catalog Number:
AG002HWR
Chemical Name:
2-Propynal, 3-[3,4-bis(decyloxy)phenyl]-
CAS Number:
189124-21-8
Molecular Formula:
C29H46O3
Molecular Weight:
442.6737
IUPAC Name:
3-(3,4-didecoxyphenyl)prop-2-ynal
InChI:
InChI=1S/C29H46O3/c1-3-5-7-9-11-13-15-17-24-31-28-22-21-27(20-19-23-30)26-29(28)32-25-18-16-14-12-10-8-6-4-2/h21-23,26H,3-18,24-25H2,1-2H3
InChI Key:
FXZAZADMPKWTJU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(C#CC=O)ccc1OCCCCCCCCCC
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.345g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.684g/mol
Monoisotopic Mass:
442.345g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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