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92748-85-1 | Benzoic acid, 2-(3,5,5-trimethyl-2-thiazolidinyl)-
CAS No: 92748-85-1 Catalog No: AG006EIQ MDL No:
Product Description
Catalog Number:
AG006EIQ
Chemical Name:
Benzoic acid, 2-(3,5,5-trimethyl-2-thiazolidinyl)-
CAS Number:
92748-85-1
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
2-(3,5,5-trimethyl-1,3-thiazolidin-2-yl)benzoic acid
InChI:
InChI=1S/C13H17NO2S/c1-13(2)8-14(3)11(17-13)9-6-4-5-7-10(9)12(15)16/h4-7,11H,8H2,1-3H3,(H,15,16)
InChI Key:
MVMNXDRORRHHJV-UHFFFAOYSA-N
SMILES:
CN1CC(SC1c1ccccc1C(=O)O)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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