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161431-74-9 | 2-Butenoic acid, 4-(diethoxyphosphinyl)-2-methyl-, ethyl ester, (2E)-
CAS No: 161431-74-9 Catalog No: AG001SHC MDL No:
Product Description
Catalog Number:
AG001SHC
Chemical Name:
2-Butenoic acid, 4-(diethoxyphosphinyl)-2-methyl-, ethyl ester, (2E)-
CAS Number:
161431-74-9
Molecular Formula:
C11H21O5P
Molecular Weight:
264.2552
IUPAC Name:
ethyl 4-diethoxyphosphoryl-2-methylbut-2-enoate
InChI:
InChI=1S/C11H21O5P/c1-5-14-11(12)10(4)8-9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3
InChI Key:
UJTQBEHQOLXVAK-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/CP(=O)(OCC)OCC)/C
EC Number:
601-818-6
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.258g/mol
Monoisotopic Mass:
264.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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