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89541-74-2 | Carbamic acid, [4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-, ethyl ester
CAS No: 89541-74-2 Catalog No: AG00401V MDL No:
Product Description
Catalog Number:
AG00401V
Chemical Name:
Carbamic acid, [4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-, ethyl ester
CAS Number:
89541-74-2
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
ethyl N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]carbamate
InChI:
InChI=1S/C13H13N3O3/c1-2-19-13(18)16-10-5-3-9(4-6-10)11-7-15-12(17)8-14-11/h3-8H,2H2,1H3,(H,15,17)(H,16,18)
InChI Key:
CITHCDNYOHYZHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1)c1ncc(=O)[nH]c1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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