Home Other Building Blocks 4-(3-methoxyphenyl)-2-oxobut-3-enoic acid

4-(3-methoxyphenyl)-2-oxobut-3-enoic acid

CAS No.:
65152-37-6
Catalog Number:
AG01BE6U
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
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Product Description
Catalog Number:
AG01BE6U
Chemical Name:
4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CAS Number:
65152-37-6
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD00029981
IUPAC Name:
4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C11H10O4/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
TZBQCGQSQBDNCY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=CC(=O)C(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  
Properties