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Home > Nitro Compounds > 300665-18-3
300665-18-3 | (2E)-3-[2-(morpholin-4-yl)-5-nitrophenyl]prop-2-enoic acid
CAS No: 300665-18-3 Catalog No: AG00IZ89 MDL No:MFCD06205585
Product Description
Catalog Number:
AG00IZ89
Chemical Name:
(2E)-3-[2-(morpholin-4-yl)-5-nitrophenyl]prop-2-enoic acid
CAS Number:
300665-18-3
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD06205585
IUPAC Name:
3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C13H14N2O5/c16-13(17)4-1-10-9-11(15(18)19)2-3-12(10)14-5-7-20-8-6-14/h1-4,9H,5-8H2,(H,16,17)
InChI Key:
OEJGXBPLQVDBTF-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
1.5
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