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102516-84-7 | Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(4-thiomorpholinyl)ethyl ester, hydrochloride (9CI)
CAS No: 102516-84-7 Catalog No: AG0007MR MDL No:
Product Description
Catalog Number:
AG0007MR
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(4-thiomorpholinyl)ethyl ester, hydrochloride (9CI)
CAS Number:
102516-84-7
Molecular Formula:
C20H24ClNO3S
Molecular Weight:
393.9275
IUPAC Name:
2-thiomorpholin-4-ium-4-ylethyl 2-hydroxy-2,2-diphenylacetate;chloride
InChI:
InChI=1S/C20H23NO3S.ClH/c22-19(24-14-11-21-12-15-25-16-13-21)20(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,23H,11-16H2;1H
InChI Key:
KCGLNQYJHNVVHI-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(c1ccccc1)O)OCCN1CCSCC1.Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.926g/mol
Monoisotopic Mass:
393.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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