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Home > Nitro Compounds > 637753-88-9
637753-88-9 | (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS No: 637753-88-9 Catalog No: AG00VW4T MDL No:MFCD04065080
Product Description
Catalog Number:
AG00VW4T
Chemical Name:
(2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS Number:
637753-88-9
Molecular Formula:
C15H9NO5
Molecular Weight:
283.2357
MDL Number:
MFCD04065080
IUPAC Name:
6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one
InChI:
InChI=1S/C15H9NO5/c17-11-4-5-12-13(8-11)21-14(15(12)18)7-9-2-1-3-10(6-9)16(19)20/h1-8,17H
InChI Key:
SUTFIKFMHUZTQQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)O/C(=C\c1cccc(c1)[N+](=O)[O-])/C2=O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.239g/mol
Monoisotopic Mass:
283.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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