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Home > Nitro Compounds > 554436-81-6
554436-81-6 | 2-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS No: 554436-81-6 Catalog No: AG00IV82 MDL No:MFCD00245311
Product Description
Catalog Number:
AG00IV82
Chemical Name:
2-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
554436-81-6
Molecular Formula:
C18H11NO4
Molecular Weight:
305.2842
MDL Number:
MFCD00245311
IUPAC Name:
2-[3-(2-nitrophenyl)prop-2-enylidene]indene-1,3-dione
InChI:
InChI=1S/C18H11NO4/c20-17-13-8-2-3-9-14(13)18(21)15(17)10-5-7-12-6-1-4-11-16(12)19(22)23/h1-11H
InChI Key:
OQFJCPXCJZXMRH-UHFFFAOYSA-N
SMILES:
O=C1C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.069g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.289g/mol
Monoisotopic Mass:
305.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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