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127033-41-4

127033-41-4 | 4(1H)-Quinazolinone, 6-methoxy-2-[(1E)-2-phenylethenyl]-

CAS No: 127033-41-4 Catalog No: AG000WLP MDL No:

Product Description

Catalog Number:
AG000WLP
Chemical Name:
4(1H)-Quinazolinone, 6-methoxy-2-[(1E)-2-phenylethenyl]-
CAS Number:
127033-41-4
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
6-methoxy-2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
InChI:
InChI=1S/C17H14N2O2/c1-21-13-8-9-15-14(11-13)17(20)19-16(18-15)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/b10-7+
InChI Key:
JEDJGCJQSFQCNR-JXMROGBWSA-N
SMILES:
COc1ccc2c(c1)c(=O)nc([nH]2)/C=C/c1ccccc1

Properties

Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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