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114690-41-4 | Benzo[b]thiophene, dihydromethyl- (9CI)
CAS No: 114690-41-4 Catalog No: AG000F17 MDL No:
Product Description
Catalog Number:
AG000F17
Chemical Name:
Benzo[b]thiophene, dihydromethyl- (9CI)
CAS Number:
114690-41-4
Molecular Formula:
C9H10S
Molecular Weight:
150.2407
IUPAC Name:
2-methyl-2,3-dihydro-1-benzothiophene
InChI:
InChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3
InChI Key:
ZEAQOIXHQBWPOW-UHFFFAOYSA-N
SMILES:
CC1Cc2c(S1)cccc2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.239g/mol
Monoisotopic Mass:
150.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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