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Home > Nitro Compounds > 79017-08-6
79017-08-6 | 1(3H)-Isobenzofuranone,3-(1-nitroethyl)-
CAS No: 79017-08-6 Catalog No: AG005NS5 MDL No:MFCD03001201
Product Description
Catalog Number:
AG005NS5
Chemical Name:
1(3H)-Isobenzofuranone,3-(1-nitroethyl)-
CAS Number:
79017-08-6
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD03001201
IUPAC Name:
3-(1-nitroethyl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3
InChI Key:
FCWYFQGGRBDNRW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C1OC(=O)c2c1cccc2)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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