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89216-95-5 | 9H-Xanthene-3-carbonyl chloride, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS No: 89216-95-5 Catalog No: AG0044Z2 MDL No:
Product Description
Catalog Number:
AG0044Z2
Chemical Name:
9H-Xanthene-3-carbonyl chloride, 7-[3-(acetyloxy)propoxy]-9-oxo-
CAS Number:
89216-95-5
Molecular Formula:
C19H15ClO6
Molecular Weight:
374.7718
IUPAC Name:
3-(6-carbonochloridoyl-9-oxoxanthen-2-yl)oxypropyl acetate
InChI:
InChI=1S/C19H15ClO6/c1-11(21)24-7-2-8-25-13-4-6-16-15(10-13)18(22)14-5-3-12(19(20)23)9-17(14)26-16/h3-6,9-10H,2,7-8H2,1H3
InChI Key:
BMXGMKSAJBVLDP-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)Cl
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.056g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.773g/mol
Monoisotopic Mass:
374.056g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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