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143895-01-6

143895-01-6 | Propanoic acid, 2-(phosphonooxy)-, 1-decyl ester

CAS No: 143895-01-6 Catalog No: AG001IKR MDL No:

Product Description

Catalog Number:
AG001IKR
Chemical Name:
Propanoic acid, 2-(phosphonooxy)-, 1-decyl ester
CAS Number:
143895-01-6
Molecular Formula:
C13H27O6P
Molecular Weight:
310.3236
IUPAC Name:
decyl 2-phosphonooxypropanoate
InChI:
InChI=1S/C13H27O6P/c1-3-4-5-6-7-8-9-10-11-18-13(14)12(2)19-20(15,16)17/h12H,3-11H2,1-2H3,(H2,15,16,17)
InChI Key:
BGJFYMRXMVPKSQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)C(OP(=O)(O)O)C

Properties

Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.155g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.327g/mol
Monoisotopic Mass:
310.155g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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