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1795-04-6 | Thiophene, 2,3,4-trimethyl-
CAS No: 1795-04-6 Catalog No: AG00271D MDL No:MFCD00142784
Product Description
Catalog Number:
AG00271D
Chemical Name:
Thiophene, 2,3,4-trimethyl-
CAS Number:
1795-04-6
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
MDL Number:
MFCD00142784
IUPAC Name:
2,3,5-trimethylthiophene
InChI:
InChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChI Key:
QKZJQIHBRCFDGQ-UHFFFAOYSA-N
SMILES:
Cc1c(C)csc1C
EC Number:
217-269-7
Properties
Complexity:
80.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.217g/mol
Monoisotopic Mass:
126.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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