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80427-89-0 | 2H-Indeno[5,6-d]oxazole-2,7(3H)-dione, 5,6-dihydro-3,5-dimethyl-
CAS No: 80427-89-0 Catalog No: AG005LD6 MDL No:
Product Description
Catalog Number:
AG005LD6
Chemical Name:
2H-Indeno[5,6-d]oxazole-2,7(3H)-dione, 5,6-dihydro-3,5-dimethyl-
CAS Number:
80427-89-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
3,5-dimethyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
InChI:
InChI=1S/C12H11NO3/c1-6-3-10(14)8-5-11-9(4-7(6)8)13(2)12(15)16-11/h4-6H,3H2,1-2H3
InChI Key:
MAAQCVAEEVPAAX-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c1cc1c(c2)oc(=O)n1C
NSC Number:
357593
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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