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1262411-34-6 | 2H-Thiopyran-4-carboxylic acid, tetrahydro-4-methyl-
CAS No: 1262411-34-6 Catalog No: AG000SEZ MDL No:MFCD18374657
Product Description
Catalog Number:
AG000SEZ
Chemical Name:
2H-Thiopyran-4-carboxylic acid, tetrahydro-4-methyl-
CAS Number:
1262411-34-6
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
MDL Number:
MFCD18374657
IUPAC Name:
4-methylthiane-4-carboxylic acid
InChI:
InChI=1S/C7H12O2S/c1-7(6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H,8,9)
InChI Key:
RQTKXRQKRYWHBE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCSCC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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