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145912-59-0 | 2-Piperidinecarboxylic acid, 1-[oxo(3,4,5-trimethoxyphenyl)acetyl]-, (S)- (9CI)
CAS No: 145912-59-0 Catalog No: AG001DHQ MDL No:
Product Description
Catalog Number:
AG001DHQ
Chemical Name:
2-Piperidinecarboxylic acid, 1-[oxo(3,4,5-trimethoxyphenyl)acetyl]-, (S)- (9CI)
CAS Number:
145912-59-0
Molecular Formula:
C17H21NO7
Molecular Weight:
351.3511
IUPAC Name:
1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylic acid
InChI:
InChI=1S/C17H21NO7/c1-23-12-8-10(9-13(24-2)15(12)25-3)14(19)16(20)18-7-5-4-6-11(18)17(21)22/h8-9,11H,4-7H2,1-3H3,(H,21,22)
InChI Key:
LTMKEUYEUWABAN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.355g/mol
Monoisotopic Mass:
351.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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