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(4R)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

CAS: 65884-40-4

Formula: C11H13NO3S

SMILES: COC1=CC=C(C=C1)C1N[C@@H](CS1)C(O)=O

IUPAC: (4R)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1S/C11H13NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10?/m0/s1

Composition: C (55.21%), H (5.48%), N (5.85%), O (20.06%), S (13.40%)

Molar Mass: 239.29

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 239.061614457
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZQRSXNJVEHLFCE-RGURZIINSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.73
Topological Polar Surface Area 58.56
Polarizability 24.6
Ring Count 2
Rotatable Bond Count 3

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