Home Other Building Blocks (2E)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)prop-2-enoic acid

(2E)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)prop-2-enoic acid

CAS No.:
956076-67-8
Catalog Number:
AG01EM95
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG01EM95
Chemical Name:
(2E)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)prop-2-enoic acid
CAS Number:
956076-67-8
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD09788294
IUPAC Name:
(E)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO4/c13-10-6-16-9-3-1-7(2-4-11(14)15)5-8(9)12-10/h1-5H,6H2,(H,12,13)(H,14,15)/b4-2+
InChI Key:
ONYVPMSGIUUCOL-DUXPYHPUSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)/C=C/C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties