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67492-83-5

67492-83-5 | 2,4,4-trimethyl-2-phosphono-hexanedioic acid

CAS No: 67492-83-5 Catalog No: AG006G8G MDL No:

Product Description

Catalog Number:
AG006G8G
Chemical Name:
2,4,4-trimethyl-2-phosphono-hexanedioic acid
CAS Number:
67492-83-5
Molecular Formula:
C9H17O7P
Molecular Weight:
268.2008
IUPAC Name:
2,4,4-trimethyl-2-phosphonohexanedioic acid
InChI:
InChI=1S/C9H17O7P/c1-8(2,4-6(10)11)5-9(3,7(12)13)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)
InChI Key:
XDYZFFJMIHMPAG-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(P(=O)(O)O)(C(=O)O)C)(C)C
EC Number:
266-702-6

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:
-0.7  

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