Home Other Building Blocks 3-[ethyl(hydroxy)phosphoryl]prop-2-enoic acid

3-[ethyl(hydroxy)phosphoryl]prop-2-enoic acid

CAS No.:
1086274-70-5
Catalog Number:
AG01AN20
Molecular Formula:
C5H9O4P
Molecular Weight:
164.0963
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Product Description
Catalog Number:
AG01AN20
Chemical Name:
3-[ethyl(hydroxy)phosphoryl]prop-2-enoic acid
CAS Number:
1086274-70-5
Molecular Formula:
C5H9O4P
Molecular Weight:
164.0963
MDL Number:
MFCD20650241
IUPAC Name:
3-[ethyl(hydroxy)phosphoryl]prop-2-enoic acid
InChI:
InChI=1S/C5H9O4P/c1-2-10(8,9)4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key:
KIEHNADASURAMN-UHFFFAOYSA-N
SMILES:
CCP(=O)(C=CC(=O)O)O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.024g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.097g/mol
Monoisotopic Mass:
164.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-1.1  
Properties