200,000+ products from a single source!
sales@angenechem.com
213770-60-6 | 2H-1-Benzopyran-2-one, 4-[3-(4-methoxyphenyl)-1,4,2-dioxazol-5-yl]-
CAS No: 213770-60-6 Catalog No: AG0072L6 MDL No:
Product Description
Catalog Number:
AG0072L6
Chemical Name:
2H-1-Benzopyran-2-one, 4-[3-(4-methoxyphenyl)-1,4,2-dioxazol-5-yl]-
CAS Number:
213770-60-6
Molecular Formula:
C18H13NO5
Molecular Weight:
323.2995
IUPAC Name:
4-[3-(4-methoxyphenyl)-1,4,2-dioxazol-5-yl]chromen-2-one
InChI:
InChI=1S/C18H13NO5/c1-21-12-8-6-11(7-9-12)17-19-24-18(23-17)14-10-16(20)22-15-5-3-2-4-13(14)15/h2-10,18H,1H3
InChI Key:
ZAJFCDGFUOWAHR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NOC(O1)c1cc(=O)oc2c1cccc2
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.304g/mol
Monoisotopic Mass:
323.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.