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Home > Other Building Blocks > 89217-14-1
89217-14-1 | 9H-Xanthen-9-one, 2-[3-(acetyloxy)propoxy]-6-(1H-tetrazol-5-yl)-
CAS No: 89217-14-1 Catalog No: AG0044PY MDL No:
Product Description
Catalog Number:
AG0044PY
Chemical Name:
9H-Xanthen-9-one, 2-[3-(acetyloxy)propoxy]-6-(1H-tetrazol-5-yl)-
CAS Number:
89217-14-1
Molecular Formula:
C19H16N4O5
Molecular Weight:
380.3541
IUPAC Name:
3-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxypropyl acetate
InChI:
InChI=1S/C19H16N4O5/c1-11(24)26-7-2-8-27-13-4-6-16-15(10-13)18(25)14-5-3-12(9-17(14)28-16)19-20-22-23-21-19/h3-6,9-10H,2,7-8H2,1H3,(H,20,21,22,23)
InChI Key:
JBKLDGJAKXAIPB-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1nnn[nH]1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.112g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.36g/mol
Monoisotopic Mass:
380.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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