Home Other Building Blocks (3-methoxy-2-methylidene-3-oxopropyl)phosphonic acid

(3-methoxy-2-methylidene-3-oxopropyl)phosphonic acid

CAS No.:
103528-51-4
Catalog Number:
AG01C4S2
Molecular Formula:
C5H9O5P
Molecular Weight:
180.0957
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Product Description
Catalog Number:
AG01C4S2
Chemical Name:
(3-methoxy-2-methylidene-3-oxopropyl)phosphonic acid
CAS Number:
103528-51-4
Molecular Formula:
C5H9O5P
Molecular Weight:
180.0957
MDL Number:
MFCD23131401
IUPAC Name:
2-methoxycarbonylprop-2-enylphosphonic acid
InChI:
InChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9)
InChI Key:
OCAMAQVVROGPGJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)CP(=O)(O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.096g/mol
Monoisotopic Mass:
180.019g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Literature
Title Journal
Structure-activity relationships of tulipalines, tuliposides, and related compounds as inhibitors of MurA. Bioorganic & medicinal chemistry letters 20101001
Properties