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27795-52-4 | 2-Furanacetic acid, α-[(5-nitro-2-furanyl)methylene]-, methyl ester, (E)- (9CI)
CAS No: 27795-52-4 Catalog No: AG002UR8 MDL No:
Product Description
Catalog Number:
AG002UR8
Chemical Name:
2-Furanacetic acid, α-[(5-nitro-2-furanyl)methylene]-, methyl ester, (E)- (9CI)
CAS Number:
27795-52-4
Molecular Formula:
C12H9NO6
Molecular Weight:
263.2030
IUPAC Name:
methyl (E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoate
InChI:
InChI=1S/C12H9NO6/c1-17-12(14)9(10-3-2-6-18-10)7-8-4-5-11(19-8)13(15)16/h2-7H,1H3/b9-7+
InChI Key:
VTOJDXRTASBYSW-VQHVLOKHSA-N
SMILES:
COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/c1ccco1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
263.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.205g/mol
Monoisotopic Mass:
263.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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