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1009374-71-3 | Spiro[1H-indene-1,4'-piperidine]-3-acetic acid, 2,3-dihydro-, methyl ester
CAS No: 1009374-71-3 Catalog No: AG00038Q MDL No:
Product Description
Catalog Number:
AG00038Q
Chemical Name:
Spiro[1H-indene-1,4'-piperidine]-3-acetic acid, 2,3-dihydro-, methyl ester
CAS Number:
1009374-71-3
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
methyl 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetate
InChI:
InChI=1S/C16H21NO2/c1-19-15(18)10-12-11-16(6-8-17-9-7-16)14-5-3-2-4-13(12)14/h2-5,12,17H,6-11H2,1H3
InChI Key:
FNRMGNFBNKTIQL-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CC2(c3c1cccc3)CCNCC2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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