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122651-69-8 | 1,3-Cyclohexanedicarboxylic acid, 1-amino-, 3-phosphono ester, (1R,3R)-rel-
CAS No: 122651-69-8 Catalog No: AG0017KX MDL No:
Product Description
Catalog Number:
AG0017KX
Chemical Name:
1,3-Cyclohexanedicarboxylic acid, 1-amino-, 3-phosphono ester, (1R,3R)-rel-
CAS Number:
122651-69-8
Molecular Formula:
C8H13NO7P-
Molecular Weight:
266.1651
IUPAC Name:
3-amino-3-phosphonooxycarbonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14NO7P/c9-8(7(12)16-17(13,14)15)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H2,13,14,15)
InChI Key:
QFSURJIHQUFCHA-UHFFFAOYSA-N
SMILES:
O=C([C@@H]1CCC[C@](C1)(N)C(=O)[O-])OP(=O)(O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.174g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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