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820233-38-3 | 3-Pentenoic acid, 2-(dimethoxyphosphinyl)-, methyl ester
CAS No: 820233-38-3 Catalog No: AG004YF5 MDL No:
Product Description
Catalog Number:
AG004YF5
Chemical Name:
3-Pentenoic acid, 2-(dimethoxyphosphinyl)-, methyl ester
CAS Number:
820233-38-3
Molecular Formula:
C8H15O5P
Molecular Weight:
222.1755
IUPAC Name:
methyl 2-dimethoxyphosphorylpent-3-enoate
InChI:
InChI=1S/C8H15O5P/c1-5-6-7(8(9)11-2)14(10,12-3)13-4/h5-7H,1-4H3
InChI Key:
UYDVHJVFMMDMSY-UHFFFAOYSA-N
SMILES:
CC=CC(P(=O)(OC)OC)C(=O)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.177g/mol
Monoisotopic Mass:
222.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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