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67492-84-6 | 2,2,4-TRIMETHYL-4-PHOSPHONOADIPIC ACID
CAS No: 67492-84-6 Catalog No: AG006G8F MDL No:
Product Description
Catalog Number:
AG006G8F
Chemical Name:
2,2,4-TRIMETHYL-4-PHOSPHONOADIPIC ACID
CAS Number:
67492-84-6
Molecular Formula:
C9H17O7P
Molecular Weight:
268.2008
IUPAC Name:
2,2,4-trimethyl-4-phosphonohexanedioic acid
InChI:
InChI=1S/C9H17O7P/c1-8(2,7(12)13)5-9(3,4-6(10)11)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)
InChI Key:
NRKRINAWCRQMBX-UHFFFAOYSA-N
SMILES:
OC(=O)CC(P(=O)(O)O)(CC(C(=O)O)(C)C)C
EC Number:
266-703-1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
268.202g/mol
Monoisotopic Mass:
268.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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