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141451-38-9 | 2-Propenoic acid, 2-methyl-, 6-(1-oxo-3-phosphonopropoxy)hexyl ester
CAS No: 141451-38-9 Catalog No: AG001GEM MDL No:
Product Description
Catalog Number:
AG001GEM
Chemical Name:
2-Propenoic acid, 2-methyl-, 6-(1-oxo-3-phosphonopropoxy)hexyl ester
CAS Number:
141451-38-9
Molecular Formula:
C13H23O7P
Molecular Weight:
322.2913
IUPAC Name:
[3-[6-(2-methylprop-2-enoyloxy)hexoxy]-3-oxopropyl]phosphonic acid
InChI:
InChI=1S/C13H23O7P/c1-11(2)13(15)20-9-6-4-3-5-8-19-12(14)7-10-21(16,17)18/h1,3-10H2,2H3,(H2,16,17,18)
InChI Key:
VDLQZUKISYFYHE-UHFFFAOYSA-N
SMILES:
O=C(CCP(=O)(O)O)OCCCCCCOC(=O)C(=C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.294g/mol
Monoisotopic Mass:
322.118g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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