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Home > Other Heterocycles > 59142-96-0
59142-96-0 | 3-Methyl-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride
CAS No: 59142-96-0 Catalog No: AG019FTY MDL No:
Product Description
Catalog Number:
AG019FTY
Chemical Name:
3-Methyl-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride
CAS Number:
59142-96-0
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
1-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
InChI:
InChI=1S/C13H17NO.ClH/c1-10-11-4-2-3-5-12(11)13(15-10)6-8-14-9-7-13;/h2-5,10,14H,6-9H2,1H3;1H
InChI Key:
OPGXFKIURNANDC-UHFFFAOYSA-N
SMILES:
CC1OC2(c3c1cccc3)CCNCC2.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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