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67808-64-4 | Methyl 5-formylthiophene-2-carboxylate
CAS No: 67808-64-4 Catalog No: AG003RXV MDL No:MFCD01859942
Product Description
Catalog Number:
AG003RXV
Chemical Name:
Methyl 5-formylthiophene-2-carboxylate
CAS Number:
67808-64-4
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD01859942
IUPAC Name:
methyl 5-formylthiophene-2-carboxylate
InChI:
InChI=1S/C7H6O3S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-4H,1H3
InChI Key:
APNKWEPRZUSZCJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)C=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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