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149353-75-3 | 1-Piperidinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 149353-75-3 Catalog No: AG001LMC MDL No:MFCD02178897
Product Description
Catalog Number:
AG001LMC
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
149353-75-3
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
MDL Number:
MFCD02178897
IUPAC Name:
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
InChI:
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-13(9-11-18)12-4-6-14(7-5-12)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)
InChI Key:
YCNVQGGUCDVTIZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccc(cc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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