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30446-99-2 | Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-
CAS No: 30446-99-2 Catalog No: AG00305R MDL No:MFCD01651753
Product Description
Catalog Number:
AG00305R
Chemical Name:
Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-
CAS Number:
30446-99-2
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
MDL Number:
MFCD01651753
IUPAC Name:
2-methyl-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C10H8OS/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChI Key:
GDAUIGNXYBQHNU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)sc2c1cccc2
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:
2.8
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