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100868-60-8 | 4-Thiazolidinecarboxylic acid, hydrochloride (1:1)
CAS No: 100868-60-8 Catalog No: AG00031M MDL No:
Product Description
Catalog Number:
AG00031M
Chemical Name:
4-Thiazolidinecarboxylic acid, hydrochloride (1:1)
CAS Number:
100868-60-8
Molecular Formula:
C4H8ClNO2S
Molecular Weight:
169.6298
IUPAC Name:
1,3-thiazolidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C4H7NO2S.ClH/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);1H
InChI Key:
SIXAPKPVUCHKKR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCN1.Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.996g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.623g/mol
Monoisotopic Mass:
168.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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