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2-methyl-1-benzothiophene-3-carbaldehyde

2-methyl-1-benzothiophene-3-carbaldehyde

CAS: 30446-99-2

Formula: C10H8OS

SMILES: CC1=C(C=O)C2=CC=CC=C2S1

IUPAC: 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

Composition: C (68.15%), H (4.58%), O (9.08%), S (18.19%)

Molar Mass: 176.23

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.029586052
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GDAUIGNXYBQHNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.04
Topological Polar Surface Area 17.07
Polarizability 20.17
Ring Count 2
Rotatable Bond Count 1

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97% <7 Days 30446-99-2 $57.97-$717.15$57.97$172.98$334.73$717.15
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95% <10 Days 30446-99-2 $132.94-$263.93$132.94$176.93$263.93
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