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90946-41-1

90946-41-1 | 1-benzyl-1,3,5-triazine-2,4(1h,3h)-dione

CAS No: 90946-41-1 Catalog No: AG006GAC MDL No:

Product Description

Catalog Number:
AG006GAC
Chemical Name:
1-benzyl-1,3,5-triazine-2,4(1h,3h)-dione
CAS Number:
90946-41-1
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
1-benzyl-1,3,5-triazine-2,4-dione
InChI:
InChI=1S/C10H9N3O2/c14-9-11-7-13(10(15)12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,14,15)
InChI Key:
VTABBJLJTYFRKE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)ncn1Cc1ccccc1
NSC Number:
77418

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

Title Journal
(Z)-2-Acetamido-3-(4-chloro-phen-yl)acrylic acid. Acta crystallographica. Section E, Structure reports online 20091201
(Z)-2-Hydr-oxy-3-(4-methoxy-phen-yl)acrylic acid. Acta crystallographica. Section E, Structure reports online 20091201

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