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80916-86-5 | 8-(3-ETHOXYPROPOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN
CAS No: 80916-86-5 Catalog No: AG005HW0 MDL No:
Product Description
Catalog Number:
AG005HW0
Chemical Name:
8-(3-ETHOXYPROPOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN
CAS Number:
80916-86-5
Molecular Formula:
C15H16N4O4
Molecular Weight:
316.3119
IUPAC Name:
8-(3-ethoxypropoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
InChI:
InChI=1S/C15H16N4O4/c1-2-21-7-4-8-22-12-6-3-5-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h3,5-6,9H,2,4,7-8H2,1H3,(H,16,17,18,19)
InChI Key:
PGCPUELHMDVHLL-UHFFFAOYSA-N
SMILES:
CCOCCCOc1cccc2c1oc(=O)c(c2)c1nnn[nH]1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.317g/mol
Monoisotopic Mass:
316.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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