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295792-72-2 | Dodecanoic acid, 12-phosphono-
CAS No: 295792-72-2 Catalog No: AG002YT5 MDL No:
Product Description
Catalog Number:
AG002YT5
Chemical Name:
Dodecanoic acid, 12-phosphono-
CAS Number:
295792-72-2
Molecular Formula:
C12H25O5P
Molecular Weight:
280.2977
IUPAC Name:
12-phosphonododecanoic acid
InChI:
InChI=1S/C12H25O5P/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-18(15,16)17/h1-11H2,(H,13,14)(H2,15,16,17)
InChI Key:
BUKGQBGCJBXIKV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCP(=O)(O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.144g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.301g/mol
Monoisotopic Mass:
280.144g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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