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Home > Indoles and Oxindole > 65033-02-5
65033-02-5 | 1,4-Naphthalenedione, 2-(1,3-dihydro-2H-isoindol-2-yl)-
CAS No: 65033-02-5 Catalog No: AG00H6AX MDL No:
Product Description
Catalog Number:
AG00H6AX
Chemical Name:
1,4-Naphthalenedione, 2-(1,3-dihydro-2H-isoindol-2-yl)-
CAS Number:
65033-02-5
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
2-(1,3-dihydroisoindol-2-yl)naphthalene-1,4-dione
InChI:
InChI=1S/C18H13NO2/c20-17-9-16(18(21)15-8-4-3-7-14(15)17)19-10-12-5-1-2-6-13(12)11-19/h1-9H,10-11H2
InChI Key:
XVWMQYYVAQOLBF-UHFFFAOYSA-N
SMILES:
O=C1C=C(N2Cc3c(C2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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