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208337-83-1 | 2-Thiophenecarboxylic acid, 5-[(3R)-3,4-dihydroxybutyl]-, ethyl ester
CAS No: 208337-83-1 Catalog No: AG002JN3 MDL No:
Product Description
Catalog Number:
AG002JN3
Chemical Name:
2-Thiophenecarboxylic acid, 5-[(3R)-3,4-dihydroxybutyl]-, ethyl ester
CAS Number:
208337-83-1
Molecular Formula:
C11H16O4S
Molecular Weight:
244.3073
IUPAC Name:
ethyl 5-[(3R)-3,4-dihydroxybutyl]thiophene-2-carboxylate
InChI:
InChI=1S/C11H16O4S/c1-2-15-11(14)10-6-5-9(16-10)4-3-8(13)7-12/h5-6,8,12-13H,2-4,7H2,1H3/t8-/m1/s1
InChI Key:
LPCMJARXPCVXIA-MRVPVSSYSA-N
SMILES:
CCOC(=O)c1ccc(s1)CC[C@H](CO)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.305g/mol
Monoisotopic Mass:
244.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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