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101329-93-5 | Cyclopentanecarboxylic acid, 1-(phenylthio)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:1)
CAS No: 101329-93-5 Catalog No: AG00048A MDL No:
Product Description
Catalog Number:
AG00048A
Chemical Name:
Cyclopentanecarboxylic acid, 1-(phenylthio)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:1)
CAS Number:
101329-93-5
Molecular Formula:
C18H25NO6S
Molecular Weight:
383.4592
IUPAC Name:
2-(dimethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid
InChI:
InChI=1S/C16H23NO2S.C2H2O4/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)20-14-8-4-3-5-9-14;3-1(4)2(5)6/h3-5,8-9H,6-7,10-13H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
XEOQSJRVIAKPIP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN(CCOC(=O)C1(CCCC1)Sc1ccccc1)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.459g/mol
Monoisotopic Mass:
383.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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