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101911-91-5 | Carbonic acid, phenyl 3-(1-pyrrolidinyl)-1-(2-thienyl)propyl ester, hydrochloride (9CI)
CAS No: 101911-91-5 Catalog No: AG0005Y3 MDL No:
Product Description
Catalog Number:
AG0005Y3
Chemical Name:
Carbonic acid, phenyl 3-(1-pyrrolidinyl)-1-(2-thienyl)propyl ester, hydrochloride (9CI)
CAS Number:
101911-91-5
Molecular Formula:
C18H22ClNO3S
Molecular Weight:
367.8902
IUPAC Name:
(3-phenyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpropyl) hydrogen carbonate;hydrochloride
InChI:
InChI=1S/C18H21NO3S.ClH/c20-18(21)22-16(17-9-6-12-23-17)13-15(19-10-4-5-11-19)14-7-2-1-3-8-14;/h1-3,6-9,12,15-16H,4-5,10-11,13H2,(H,20,21);1H
InChI Key:
DPZZBYLGRZSQBZ-UHFFFAOYSA-N
SMILES:
O=C(OC(c1cccs1)CCN1CCCC1)Oc1ccccc1.Cl
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.888g/mol
Monoisotopic Mass:
367.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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