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102037-91-2

102037-91-2 | Thiophene, 3,5-dimethyl-2-(3,7,11-trimethyldodecyl)-

CAS No: 102037-91-2 Catalog No: AG0006FI MDL No:

Product Description

Catalog Number:
AG0006FI
Chemical Name:
Thiophene, 3,5-dimethyl-2-(3,7,11-trimethyldodecyl)-
CAS Number:
102037-91-2
Molecular Formula:
C21H38S
Molecular Weight:
322.5914
IUPAC Name:
3,5-dimethyl-2-(3,7,11-trimethyldodecyl)thiophene
InChI:
InChI=1S/C21H38S/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-21-19(5)15-20(6)22-21/h15-18H,7-14H2,1-6H3
InChI Key:
VOOWENHHJZBQNX-UHFFFAOYSA-N
SMILES:
CC(CCc1sc(cc1C)C)CCCC(CCCC(C)C)C

Properties

Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.269g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.595g/mol
Monoisotopic Mass:
322.269g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2  

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