Home Other Building Blocks 3-(4-MORPHOLINO-3-NITROPHENYL)ACRYLIC ACID

3-(4-MORPHOLINO-3-NITROPHENYL)ACRYLIC ACID

CAS No.:
300541-93-9
Catalog Number:
AG00BWZZ
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
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Product Description
Catalog Number:
AG00BWZZ
Chemical Name:
3-(4-MORPHOLINO-3-NITROPHENYL)ACRYLIC ACID
CAS Number:
300541-93-9
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD00831764
IUPAC Name:
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C13H14N2O5/c16-13(17)4-2-10-1-3-11(12(9-10)15(18)19)14-5-7-20-8-6-14/h1-4,9H,5-8H2,(H,16,17)/b4-2+
InChI Key:
JPHPRPXBTGGJEW-DUXPYHPUSA-N
SMILES:
OC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties