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161404-76-8 | 2H-Thiopyran-3-carboxylic acid, tetrahydro-
CAS No: 161404-76-8 Catalog No: AG001SFP MDL No:MFCD14584577
Product Description
Catalog Number:
AG001SFP
Chemical Name:
2H-Thiopyran-3-carboxylic acid, tetrahydro-
CAS Number:
161404-76-8
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
MDL Number:
MFCD14584577
IUPAC Name:
thiane-3-carboxylic acid
InChI:
InChI=1S/C6H10O2S/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
InChI Key:
DCMOTEAFHXHTAL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCSC1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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