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918158-23-3

918158-23-3 | 1H-Benz[f]indene-1,3(2H)-dione, 2-(2-benzoxazolyl)-

CAS No: 918158-23-3 Catalog No: AG0069AA MDL No:

Product Description

Catalog Number:
AG0069AA
Chemical Name:
1H-Benz[f]indene-1,3(2H)-dione, 2-(2-benzoxazolyl)-
CAS Number:
918158-23-3
Molecular Formula:
C20H11NO3
Molecular Weight:
313.3062
IUPAC Name:
2-(1,3-benzoxazol-2-yl)cyclopenta[b]naphthalene-1,3-dione
InChI:
InChI=1S/C20H11NO3/c22-18-13-9-11-5-1-2-6-12(11)10-14(13)19(23)17(18)20-21-15-7-3-4-8-16(15)24-20/h1-10,17H
InChI Key:
LCJDXJKQUGRHHL-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc3c(o2)cccc3)C(=O)c2c1cc1ccccc1c2

Properties

Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.074g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.312g/mol
Monoisotopic Mass:
313.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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