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30810-65-2 | 4,10-Epoxy-1H-thiepino[4,5-f]isoindole-1,3(2H)-dione
CAS No: 30810-65-2 Catalog No: AG0031DH MDL No:
Product Description
Catalog Number:
AG0031DH
Chemical Name:
4,10-Epoxy-1H-thiepino[4,5-f]isoindole-1,3(2H)-dione
CAS Number:
30810-65-2
Molecular Formula:
C12H5NO3S
Molecular Weight:
243.2380
IUPAC Name:
15-oxa-5-thia-12-azatetracyclo[7.5.1.02,8.010,14]pentadeca-1(14),2(8),3,6,9-pentaene-11,13-dione
InChI:
InChI=1S/C12H5NO3S/c14-11-7-8(12(15)13-11)10-6-2-4-17-3-1-5(6)9(7)16-10/h1-4H,(H,13,14,15)
InChI Key:
NGSYPQIDFDJGBJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c1c1oc2c2c1ccscc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.236g/mol
Monoisotopic Mass:
242.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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