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123811-79-0 | 2-Piperidinecarboxylic acid, 4-methoxy-, hydrochloride (1:1), (2R,4S)-rel-
CAS No: 123811-79-0 Catalog No: AG000L4F MDL No:MFCD06804551
Product Description
Catalog Number:
AG000L4F
Chemical Name:
2-Piperidinecarboxylic acid, 4-methoxy-, hydrochloride (1:1), (2R,4S)-rel-
CAS Number:
123811-79-0
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD06804551
IUPAC Name:
4-methoxypiperidine-2-carboxylic acid
InChI:
InChI=1S/C7H13NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChI Key:
ABGLVXROVAEWNL-UHFFFAOYSA-N
SMILES:
COC1CCNC(C1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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