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102476-22-2 | Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester (6CI)
CAS No: 102476-22-2 Catalog No: AG0007K6 MDL No:
Product Description
Catalog Number:
AG0007K6
Chemical Name:
Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester (6CI)
CAS Number:
102476-22-2
Molecular Formula:
C22H27NO2
Molecular Weight:
337.4553
IUPAC Name:
2-(1-ethylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate
InChI:
InChI=1S/C22H27NO2/c1-2-23-16-9-14-20(23)15-17-25-22(24)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3
InChI Key:
IXKPRDSSKVNTLV-UHFFFAOYSA-N
SMILES:
CCN1CCCC1CCOC(=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.204g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.463g/mol
Monoisotopic Mass:
337.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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