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89860-79-7 | 4-Thiazolidinecarboxylic acid, 3-(2-nitrophenyl)-
CAS No: 89860-79-7 Catalog No: AG003XCK MDL No:
Product Description
Catalog Number:
AG003XCK
Chemical Name:
4-Thiazolidinecarboxylic acid, 3-(2-nitrophenyl)-
CAS Number:
89860-79-7
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
IUPAC Name:
3-(2-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C10H10N2O4S/c13-10(14)9-5-17-6-11(9)7-3-1-2-4-8(7)12(15)16/h1-4,9H,5-6H2,(H,13,14)
InChI Key:
MUBPQUAUHCGTEC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCN1c1ccccc1[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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