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88928-59-0 | Ethanone, 1-[5-(acetyloxy)-3,4-dihydro-8-hydroxy-2-naphthalenyl]-
CAS No: 88928-59-0 Catalog No: AG0048SA MDL No:
Product Description
Catalog Number:
AG0048SA
Chemical Name:
Ethanone, 1-[5-(acetyloxy)-3,4-dihydro-8-hydroxy-2-naphthalenyl]-
CAS Number:
88928-59-0
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
(6-acetyl-4-hydroxy-7,8-dihydronaphthalen-1-yl) acetate
InChI:
InChI=1S/C14H14O4/c1-8(15)10-3-4-11-12(7-10)13(17)5-6-14(11)18-9(2)16/h5-7,17H,3-4H2,1-2H3
InChI Key:
DPEVMWVRDVXIKC-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c2c1CCC(=C2)C(=O)C)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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