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30507-21-2 | 4(3H)-Quinazolinone, 2-[2-(4-methoxyphenyl)ethenyl]-
CAS No: 30507-21-2 Catalog No: AG0030E5 MDL No:
Product Description
Catalog Number:
AG0030E5
Chemical Name:
4(3H)-Quinazolinone, 2-[2-(4-methoxyphenyl)ethenyl]-
CAS Number:
30507-21-2
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
2-[2-(4-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
InChI:
InChI=1S/C17H14N2O2/c1-21-13-9-6-12(7-10-13)8-11-16-18-15-5-3-2-4-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
InChI Key:
LSZNCJFMLYCZKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=Cc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.7
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