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3048-35-9 | Dibenz[c,e]oxepin-5,7-dione, 3,9-dimethyl-
CAS No: 3048-35-9 Catalog No: AG00309S MDL No:
Product Description
Catalog Number:
AG00309S
Chemical Name:
Dibenz[c,e]oxepin-5,7-dione, 3,9-dimethyl-
CAS Number:
3048-35-9
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
3,9-dimethylbenzo[d][2]benzoxepine-5,7-dione
InChI:
InChI=1S/C16H12O3/c1-9-3-5-11-12-6-4-10(2)8-14(12)16(18)19-15(17)13(11)7-9/h3-8H,1-2H3
InChI Key:
FSAOQZWOCLNWRX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)oc(=O)c1c2ccc(c1)C
NSC Number:
60068
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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