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15085-13-9 | Acenaphtho[3,4-b]benzo[d]thiophene, 1,2-dihydro-3-methyl- (6CI,8CI)
CAS No: 15085-13-9 Catalog No: AG001MWM MDL No:
Product Description
Catalog Number:
AG001MWM
Chemical Name:
Acenaphtho[3,4-b]benzo[d]thiophene, 1,2-dihydro-3-methyl- (6CI,8CI)
CAS Number:
15085-13-9
Molecular Formula:
C19H14S
Molecular Weight:
274.3795
IUPAC Name:
15-methyl-3-thiapentacyclo[10.6.1.02,10.04,9.016,19]nonadeca-1(19),2(10),4,6,8,11,13,15-octaene
InChI:
InChI=1S/C19H14S/c1-11-6-7-12-10-16-14-4-2-3-5-17(14)20-19(16)15-9-8-13(11)18(12)15/h2-7,10H,8-9H2,1H3
InChI Key:
GPTGVTKVSRNLMS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c3c1CCc3c1c(c2)c2c(s1)cccc2
NSC Number:
33402
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.381g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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