Home Other Building Blocks 2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid

2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid

CAS No.:
77269-66-0
Catalog Number:
AG003HME
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG003HME
Chemical Name:
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid
CAS Number:
77269-66-0
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD06203229
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H12O4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChI Key:
DBXAHUCZEXVUKS-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc2c(c1)OCO2)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties