Home Other Building Blocks Methyl 4-(dimethoxyphosphoryl)but-2-enoate

Methyl 4-(dimethoxyphosphoryl)but-2-enoate

CAS No.:
86120-40-3
Catalog Number:
AG003V39
Molecular Formula:
C7H13O5P
Molecular Weight:
208.1489
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Product Description
Catalog Number:
AG003V39
Chemical Name:
Methyl 4-(dimethoxyphosphoryl)but-2-enoate
CAS Number:
86120-40-3
Molecular Formula:
C7H13O5P
Molecular Weight:
208.1489
MDL Number:
MFCD00051564
IUPAC Name:
methyl (E)-4-dimethoxyphosphorylbut-2-enoate
InChI:
InChI=1S/C7H13O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-5H,6H2,1-3H3/b5-4+
InChI Key:
PESRINKNQQZURC-SNAWJCMRSA-N
SMILES:
COC(=O)/C=C/CP(=O)(OC)OC
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
208.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.15g/mol
Monoisotopic Mass:
208.05g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties