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Home > Aldehydes > 1892706-91-0
1892706-91-0 | 4-hydroxy-1-benzothiophene-2-carbaldehyde
CAS No: 1892706-91-0 Catalog No: AG01B6YH MDL No:MFCD30476140
Product Description
Catalog Number:
AG01B6YH
Chemical Name:
4-hydroxy-1-benzothiophene-2-carbaldehyde
CAS Number:
1892706-91-0
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD30476140
IUPAC Name:
4-hydroxy-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H6O2S/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-5,11H
InChI Key:
CLRDIASMKZHZLW-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1)c(O)ccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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