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1008779-94-9 | 3-Piperidinecarboxylic acid, 3-hydroxy-, Methyl ester
CAS No: 1008779-94-9 Catalog No: AG000331 MDL No:MFCD20662175
Product Description
Catalog Number:
AG000331
Chemical Name:
3-Piperidinecarboxylic acid, 3-hydroxy-, Methyl ester
CAS Number:
1008779-94-9
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD20662175
IUPAC Name:
methyl 3-hydroxypiperidine-3-carboxylate
InChI:
InChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3
InChI Key:
XTESLNLUWWTVGF-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)CCCNC1
Properties
Complexity:
160
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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