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2327-68-6 | Butanoic acid, 4-(diethoxyphosphinyl)-, methyl ester
CAS No: 2327-68-6 Catalog No: AG002MQG MDL No:MFCD09951909
Product Description
Catalog Number:
AG002MQG
Chemical Name:
Butanoic acid, 4-(diethoxyphosphinyl)-, methyl ester
CAS Number:
2327-68-6
Molecular Formula:
C9H19O5P
Molecular Weight:
238.2179
MDL Number:
MFCD09951909
IUPAC Name:
methyl 4-dimethoxyphosphorylbutanoate
InChI:
InChI=1S/C7H15O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-6H2,1-3H3
InChI Key:
JJHDDMXTDDIZAS-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCCC(=O)OC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.166g/mol
Monoisotopic Mass:
210.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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