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155251-30-2 | 3-Thiophenecarboxylic acid, 4-cyanotetrahydro-4-hydroxy-, methyl ester
CAS No: 155251-30-2 Catalog No: AG001NQW MDL No:
Product Description
Catalog Number:
AG001NQW
Chemical Name:
3-Thiophenecarboxylic acid, 4-cyanotetrahydro-4-hydroxy-, methyl ester
CAS Number:
155251-30-2
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
methyl 4-cyano-4-hydroxythiolane-3-carboxylate
InChI:
InChI=1S/C7H9NO3S/c1-11-6(9)5-2-12-4-7(5,10)3-8/h5,10H,2,4H2,1H3
InChI Key:
HCKNQPFZDIYYEA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSCC1(O)C#N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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