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28751-77-1 | 4(1H)-Quinazolinone, 1-(3-methyl-2-buten-1-yl)-
CAS No: 28751-77-1 Catalog No: AG002WDF MDL No:
Product Description
Catalog Number:
AG002WDF
Chemical Name:
4(1H)-Quinazolinone, 1-(3-methyl-2-buten-1-yl)-
CAS Number:
28751-77-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
1-(3-methylbut-2-enyl)quinazolin-4-one
InChI:
InChI=1S/C13H14N2O/c1-10(2)7-8-15-9-14-13(16)11-5-3-4-6-12(11)15/h3-7,9H,8H2,1-2H3
InChI Key:
VDPRXPYFOKNDFU-UHFFFAOYSA-N
SMILES:
CC(=CCn1cnc(=O)c2c1cccc2)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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