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Home > Nitro Compounds > 178557-15-8
178557-15-8 | Benzo[1,2-b:4,5-b']difuran, 2,3,6,7-tetrahydro-4-(2-nitroethenyl)- (9CI)
CAS No: 178557-15-8 Catalog No: AG00265K MDL No:
Product Description
Catalog Number:
AG00265K
Chemical Name:
Benzo[1,2-b:4,5-b']difuran, 2,3,6,7-tetrahydro-4-(2-nitroethenyl)- (9CI)
CAS Number:
178557-15-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
4-(2-nitroethenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
InChI:
InChI=1S/C12H11NO4/c14-13(15)4-1-10-9-3-6-16-11(9)7-8-2-5-17-12(8)10/h1,4,7H,2-3,5-6H2
InChI Key:
OSQPPRJKZDKNHJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1c2OCCc2cc2c1CCO2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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