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67492-86-8

67492-86-8 | Hexanedioic acid, 3-methyl-3-phosphono-

CAS No: 67492-86-8 Catalog No: AG006G8E MDL No:

Product Description

Catalog Number:
AG006G8E
Chemical Name:
Hexanedioic acid, 3-methyl-3-phosphono-
CAS Number:
67492-86-8
Molecular Formula:
C7H13O7P
Molecular Weight:
240.1477
IUPAC Name:
3-methyl-3-phosphonohexanedioic acid
InChI:
InChI=1S/C7H13O7P/c1-7(4-6(10)11,15(12,13)14)3-2-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)
InChI Key:
IDWTYLPJZSREDH-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(P(=O)(O)O)(CC(=O)O)C

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
240.148g/mol
Monoisotopic Mass:
240.04g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  

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