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Home > Indoles and Oxindole > 1381795-31-8
1381795-31-8 | 1H-Isoindole-1,3(2H)-dione, 2-(3R)-3-piperidinyl-, hydrochloride (1:1)
CAS No: 1381795-31-8 Catalog No: AG00184F MDL No:MFCD09752972
Product Description
Catalog Number:
AG00184F
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3R)-3-piperidinyl-, hydrochloride (1:1)
CAS Number:
1381795-31-8
Molecular Formula:
C13H15ClN2O2
Molecular Weight:
266.7234
MDL Number:
MFCD09752972
IUPAC Name:
2-[(3R)-piperidin-3-yl]isoindole-1,3-dione;hydrochloride
InChI:
InChI=1S/C13H14N2O2.ClH/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9;/h1-2,5-6,9,14H,3-4,7-8H2;1H/t9-;/m1./s1
InChI Key:
BQSFMNHZZTVEQZ-SBSPUUFOSA-N
SMILES:
O=C1N([C@@H]2CCCNC2)C(=O)c2c1cccc2.Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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