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89510-53-2 | Ethanone, 1-[3,4-bis(acetyloxy)-1-(3-methyl-2-butenyl)-2-naphthalenyl]-
CAS No: 89510-53-2 Catalog No: AG0040SR MDL No:
Product Description
Catalog Number:
AG0040SR
Chemical Name:
Ethanone, 1-[3,4-bis(acetyloxy)-1-(3-methyl-2-butenyl)-2-naphthalenyl]-
CAS Number:
89510-53-2
Molecular Formula:
C21H22O5
Molecular Weight:
354.3964
IUPAC Name:
[3-acetyl-2-acetyloxy-4-(3-methylbut-2-enyl)naphthalen-1-yl] acetate
InChI:
InChI=1S/C21H22O5/c1-12(2)10-11-17-16-8-6-7-9-18(16)20(25-14(4)23)21(26-15(5)24)19(17)13(3)22/h6-10H,11H2,1-5H3
InChI Key:
OXSLJWFBUDUUFH-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(C(=O)C)c(OC(=O)C)c(c2c1cccc2)OC(=O)C)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.402g/mol
Monoisotopic Mass:
354.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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