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Home > Other Building Blocks > 89217-03-8
89217-03-8 | 9H-Xanthene-3-carbonitrile, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS No: 89217-03-8 Catalog No: AG0044Z0 MDL No:
Product Description
Catalog Number:
AG0044Z0
Chemical Name:
9H-Xanthene-3-carbonitrile, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS Number:
89217-03-8
Molecular Formula:
C19H15NO5
Molecular Weight:
337.3261
IUPAC Name:
3-(6-cyano-9-oxoxanthen-2-yl)oxypropyl acetate
InChI:
InChI=1S/C19H15NO5/c1-12(21)23-7-2-8-24-14-4-6-17-16(10-14)19(22)15-5-3-13(11-20)9-18(15)25-17/h3-6,9-10H,2,7-8H2,1H3
InChI Key:
CFFJFHJPTPQSJA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)oc1c(c2=O)cc(cc1)OCCCOC(=O)C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.331g/mol
Monoisotopic Mass:
337.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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