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117423-55-9 | 2-Piperidinecarboxylic acid, 4-(3-phosphono-1-propenyl)-, cis- (9CI)
CAS No: 117423-55-9 Catalog No: AG000EAA MDL No:
Product Description
Catalog Number:
AG000EAA
Chemical Name:
2-Piperidinecarboxylic acid, 4-(3-phosphono-1-propenyl)-, cis- (9CI)
CAS Number:
117423-55-9
Molecular Formula:
C9H16NO5P
Molecular Weight:
249.2008
IUPAC Name:
4-(3-phosphonoprop-1-enyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1-2,7-8,10H,3-6H2,(H,11,12)(H2,13,14,15)
InChI Key:
QKEPBMYNLCWSMA-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1NCC[C@@H](C1)C=CCP(=O)(O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
249.203g/mol
Monoisotopic Mass:
249.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.6
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