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4565-31-5 | 5-Formylthiophene-2-carboxylic acid
CAS No: 4565-31-5 Catalog No: AG003MS1 MDL No:MFCD00191437
Product Description
Catalog Number:
AG003MS1
Chemical Name:
5-Formylthiophene-2-carboxylic acid
CAS Number:
4565-31-5
Molecular Formula:
C6H4O3S
Molecular Weight:
156.1592
MDL Number:
MFCD00191437
IUPAC Name:
5-formylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H4O3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
InChI Key:
VFEAMMGYJFFXKV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C(=O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.155g/mol
Monoisotopic Mass:
155.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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