200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 80916-79-6
80916-79-6 | 2H-1-Benzopyran-2-one,8-(3-hydroxypropoxy)-3-(2H-tetrazol-5-yl)-
CAS No: 80916-79-6 Catalog No: AG0050RT MDL No:
Product Description
Catalog Number:
AG0050RT
Chemical Name:
2H-1-Benzopyran-2-one,8-(3-hydroxypropoxy)-3-(2H-tetrazol-5-yl)-
CAS Number:
80916-79-6
Molecular Formula:
C13H12N4O4
Molecular Weight:
288.2588
IUPAC Name:
8-(3-hydroxypropoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
InChI:
InChI=1S/C13H12N4O4/c18-5-2-6-20-10-4-1-3-8-7-9(12-14-16-17-15-12)13(19)21-11(8)10/h1,3-4,7,18H,2,5-6H2,(H,14,15,16,17)
InChI Key:
YFLKXPHHBVDVBU-UHFFFAOYSA-N
SMILES:
OCCCOc1cccc2c1oc(=O)c(c2)c1nnn[nH]1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.263g/mol
Monoisotopic Mass:
288.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.