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16396-59-1 | 2-Butenoic acid, 3-(diethoxyphosphinyl)-, ethyl ester, (2E)-
CAS No: 16396-59-1 Catalog No: AG001UKE MDL No:
Product Description
Catalog Number:
AG001UKE
Chemical Name:
2-Butenoic acid, 3-(diethoxyphosphinyl)-, ethyl ester, (2E)-
CAS Number:
16396-59-1
Molecular Formula:
C10H19O5P
Molecular Weight:
250.2286
IUPAC Name:
ethyl 3-diethoxyphosphorylbut-2-enoate
InChI:
InChI=1S/C10H19O5P/c1-5-13-10(11)8-9(4)16(12,14-6-2)15-7-3/h8H,5-7H2,1-4H3
InChI Key:
MTNWTFGEFCVEEL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/P(=O)(OCC)OCC)\C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.231g/mol
Monoisotopic Mass:
250.097g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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