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887344-23-2 | 1,3-Piperidinedicarboxylicacid, 3-[(4-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS No: 887344-23-2 Catalog No: AG0044ZF MDL No:MFCD03840050
Product Description
Catalog Number:
AG0044ZF
Chemical Name:
1,3-Piperidinedicarboxylicacid, 3-[(4-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS Number:
887344-23-2
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
MDL Number:
MFCD03840050
IUPAC Name:
3-[(4-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C19H27NO4/c1-14-6-8-15(9-7-14)12-19(16(21)22)10-5-11-20(13-19)17(23)24-18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,22)
InChI Key:
OROZSQNPVNQUHJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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