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209128-15-4 | Spiro[1H-indene-1,4'-piperidine]-1',3-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester
CAS No: 209128-15-4 Catalog No: AG002K1T MDL No:MFCD11519415
Product Description
Catalog Number:
AG002K1T
Chemical Name:
Spiro[1H-indene-1,4'-piperidine]-1',3-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester
CAS Number:
209128-15-4
Molecular Formula:
C19H22NO4-
Molecular Weight:
328.3823
MDL Number:
MFCD11519415
IUPAC Name:
1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[indene-3,4'-piperidine]-1-carboxylic acid
InChI:
InChI=1S/C19H23NO4/c1-18(2,3)24-17(23)20-10-8-19(9-11-20)12-14(16(21)22)13-6-4-5-7-15(13)19/h4-7,12H,8-11H2,1-3H3,(H,21,22)
InChI Key:
JIXCGOZFMCOYSW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)C=C(c1c2cccc1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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