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828913-49-1 | 6-Octyn-2-one, 4,4-bis[(phenylmethoxy)methyl]-
CAS No: 828913-49-1 Catalog No: AG004WF1 MDL No:
Product Description
Catalog Number:
AG004WF1
Chemical Name:
6-Octyn-2-one, 4,4-bis[(phenylmethoxy)methyl]-
CAS Number:
828913-49-1
Molecular Formula:
C24H28O3
Molecular Weight:
364.4773
IUPAC Name:
4,4-bis(phenylmethoxymethyl)oct-6-yn-2-one
InChI:
InChI=1S/C24H28O3/c1-3-4-15-24(16-21(2)25,19-26-17-22-11-7-5-8-12-22)20-27-18-23-13-9-6-10-14-23/h5-14H,15-20H2,1-2H3
InChI Key:
BFPBRWJHKBPHKE-UHFFFAOYSA-N
SMILES:
CC#CCC(CC(=O)C)(COCc1ccccc1)COCc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.204g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.485g/mol
Monoisotopic Mass:
364.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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