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Home > Nitro Compounds > 338395-86-1
338395-86-1 | ethyl (2E)-3-{4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl}prop-2-enoate
CAS No: 338395-86-1 Catalog No: AG00IRJ6 MDL No:MFCD00173089
Product Description
Catalog Number:
AG00IRJ6
Chemical Name:
ethyl (2E)-3-{4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl}prop-2-enoate
CAS Number:
338395-86-1
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
MDL Number:
MFCD00173089
IUPAC Name:
ethyl 3-[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl]prop-2-enoate
InChI:
InChI=1S/C17H16N2O5/c1-3-23-16(20)11-9-14-6-4-13(5-7-14)8-10-15-17(19(21)22)12(2)18-24-15/h4-11H,3H2,1-2H3
InChI Key:
LSKSOIAWGHQJDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(cc1)/C=C/c1onc(c1[N+](=O)[O-])C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.324g/mol
Monoisotopic Mass:
328.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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