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Home > Other Heterocycles > 1172717-60-0
1172717-60-0 | Spiro[isobenzofuran-1(3H),4'-piperidine], 3,3-dimethyl-, hydrochloride (1:1)
CAS No: 1172717-60-0 Catalog No: AG000E0T MDL No:MFCD11869754
Product Description
Catalog Number:
AG000E0T
Chemical Name:
Spiro[isobenzofuran-1(3H),4'-piperidine], 3,3-dimethyl-, hydrochloride (1:1)
CAS Number:
1172717-60-0
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
MDL Number:
MFCD11869754
IUPAC Name:
3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];hydrochloride
InChI:
InChI=1S/C14H19NO.ClH/c1-13(2)11-5-3-4-6-12(11)14(16-13)7-9-15-10-8-14;/h3-6,15H,7-10H2,1-2H3;1H
InChI Key:
WKKLXFVOJPJHAE-UHFFFAOYSA-N
SMILES:
CC1(C)OC2(c3c1cccc3)CCNCC2.Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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