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84258-75-3 | Benzo[b]thiophene-2-carboxaldehyde, 6-methyl-
CAS No: 84258-75-3 Catalog No: AG0056QH MDL No:
Product Description
Catalog Number:
AG0056QH
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 6-methyl-
CAS Number:
84258-75-3
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
IUPAC Name:
6-methyl-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H8OS/c1-7-2-3-8-5-9(6-11)12-10(8)4-7/h2-6H,1H3
InChI Key:
HZVSTLVFWVPRHZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)cc(cc2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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