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14006-51-0 | Benzo[b]thiophene-2-carboxaldehyde, 3-methoxy-
CAS No: 14006-51-0 Catalog No: AG001BZL MDL No:
Product Description
Catalog Number:
AG001BZL
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-methoxy-
CAS Number:
14006-51-0
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
3-methoxy-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H8O2S/c1-12-10-7-4-2-3-5-8(7)13-9(10)6-11/h2-6H,1H3
InChI Key:
OXMNFYIDLLOZAK-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1OC)cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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