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80433-97-2 | (1s,2s)-1,2-dihydrochrysene-1,2-diyl diacetate
CAS No: 80433-97-2 Catalog No: AG005AUA MDL No:
Product Description
Catalog Number:
AG005AUA
Chemical Name:
(1s,2s)-1,2-dihydrochrysene-1,2-diyl diacetate
CAS Number:
80433-97-2
Molecular Formula:
C22H18O4
Molecular Weight:
346.3759
IUPAC Name:
[(1S,2S)-1-acetyloxy-1,2-dihydrochrysen-2-yl] acetate
InChI:
InChI=1S/C22H18O4/c1-13(23)25-21-12-11-19-18-8-7-15-5-3-4-6-16(15)17(18)9-10-20(19)22(21)26-14(2)24/h3-12,21-22H,1-2H3/t21-,22-/m0/s1
InChI Key:
DQSVSHWAYAJCTK-VXKWHMMOSA-N
SMILES:
CC(=O)O[C@@H]1[C@H](C=Cc2c1ccc1c2ccc2c1cccc2)OC(=O)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
346.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.382g/mol
Monoisotopic Mass:
346.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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