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78994-30-6

78994-30-6 | 2H-1-Benzopyran-2-one, 7-methoxy-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-

CAS No: 78994-30-6 Catalog No: AG0054HW MDL No:

Product Description

Catalog Number:
AG0054HW
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-
CAS Number:
78994-30-6
Molecular Formula:
C28H27NO4
Molecular Weight:
441.5183
IUPAC Name:
7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
InChI:
InChI=1S/C28H27NO4/c1-31-23-13-14-24-25(19-23)33-28(30)27(20-7-3-2-4-8-20)26(24)21-9-11-22(12-10-21)32-18-17-29-15-5-6-16-29/h2-4,7-14,19H,5-6,15-18H2,1H3
InChI Key:
WVIZWBKWFUJILJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2c1ccc(cc1)OCCN1CCCC1)c1ccccc1

Properties

Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.194g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.527g/mol
Monoisotopic Mass:
441.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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