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102161-55-7 | 2-Pyrrolidineethanol, 1-(phenylmethyl)-
CAS No: 102161-55-7 Catalog No: AG0006RL MDL No:
Product Description
Catalog Number:
AG0006RL
Chemical Name:
2-Pyrrolidineethanol, 1-(phenylmethyl)-
CAS Number:
102161-55-7
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
1-[2-(1-hydroxyethyl)-4,8-dioxothieno[3,2-f][1]benzothiol-5-yl]ethyl acetate
InChI:
InChI=1S/C16H14O5S2/c1-6(17)11-4-9-13(19)12-10(7(2)21-8(3)18)5-22-16(12)14(20)15(9)23-11/h4-7,17H,1-3H3
InChI Key:
ZSOAKSVUSXHJPU-UHFFFAOYSA-N
SMILES:
OCCC1CCCN1Cc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.403g/mol
Monoisotopic Mass:
350.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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