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Home > Nitro Compounds > 338422-56-3
338422-56-3 | (2Z)-3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 338422-56-3 Catalog No: AG00IY5Z MDL No:MFCD00202139
Product Description
Catalog Number:
AG00IY5Z
Chemical Name:
(2Z)-3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
338422-56-3
Molecular Formula:
C12H12N2O5
Molecular Weight:
264.2341
MDL Number:
MFCD00202139
IUPAC Name:
3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C12H12N2O5/c15-11-7-13(19-8-11)6-5-12(16)9-1-3-10(4-2-9)14(17)18/h1-6,11,15H,7-8H2
InChI Key:
WUMUPUMRGYEAQT-UHFFFAOYSA-N
SMILES:
OC1CON(C1)/C=C\C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.237g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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