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26622-10-6

26622-10-6 | 2H-Thieno[2,3-c][1]benzopyran-9-ol, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-

CAS No: 26622-10-6 Catalog No: AG002TUN MDL No:

Product Description

Catalog Number:
AG002TUN
Chemical Name:
2H-Thieno[2,3-c][1]benzopyran-9-ol, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-
CAS Number:
26622-10-6
Molecular Formula:
C22H32O2S
Molecular Weight:
360.5533
IUPAC Name:
4,4-dimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol
InChI:
InChI=1S/C22H32O2S/c1-6-7-8-9-14(2)15(3)16-12-18(23)20-17-10-11-25-21(17)22(4,5)24-19(20)13-16/h12-15,23H,6-11H2,1-5H3
InChI Key:
PZDFHHSXZRIAEF-UHFFFAOYSA-N
SMILES:
CCCCCC(C(c1cc(O)c2c(c1)OC(C1=C2CCS1)(C)C)C)C

Properties

Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.212g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
360.556g/mol
Monoisotopic Mass:
360.212g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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