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100622-13-7 | 1(2H)-Naphthalenone, 2,2-bis(acetyloxy)-
CAS No: 100622-13-7 Catalog No: AG0002IV MDL No:
Product Description
Catalog Number:
AG0002IV
Chemical Name:
1(2H)-Naphthalenone, 2,2-bis(acetyloxy)-
CAS Number:
100622-13-7
Molecular Formula:
C14H12O5
Molecular Weight:
260.2421
IUPAC Name:
(2-acetyloxy-1-oxonaphthalen-2-yl) acetate
InChI:
InChI=1S/C14H12O5/c1-9(15)18-14(19-10(2)16)8-7-11-5-3-4-6-12(11)13(14)17/h3-8H,1-2H3
InChI Key:
NMXRZHIGUXXBOS-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(C=Cc2c(C1=O)cccc2)OC(=O)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.245g/mol
Monoisotopic Mass:
260.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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