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89510-01-0 | Ethanone, 1-[3,4-bis(acetyloxy)-1-(2-propenyl)-2-naphthalenyl]-
CAS No: 89510-01-0 Catalog No: AG0040T3 MDL No:
Product Description
Catalog Number:
AG0040T3
Chemical Name:
Ethanone, 1-[3,4-bis(acetyloxy)-1-(2-propenyl)-2-naphthalenyl]-
CAS Number:
89510-01-0
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
(3-acetyl-2-acetyloxy-4-prop-2-enylnaphthalen-1-yl) acetate
InChI:
InChI=1S/C19H18O5/c1-5-8-15-14-9-6-7-10-16(14)18(23-12(3)21)19(24-13(4)22)17(15)11(2)20/h5-7,9-10H,1,8H2,2-4H3
InChI Key:
HILWISONRDACCA-UHFFFAOYSA-N
SMILES:
C=CCc1c(C(=O)C)c(OC(=O)C)c(c2c1cccc2)OC(=O)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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