200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87961-41-9
87961-41-9 | 5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID
CAS No: 87961-41-9 Catalog No: AG004G9N MDL No:MFCD06201685
Product Description
Catalog Number:
AG004G9N
Chemical Name:
5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID
CAS Number:
87961-41-9
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD06201685
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-5-oxopentanoic acid
InChI:
InChI=1S/C12H12O5/c13-9(2-1-3-12(14)15)8-4-5-10-11(6-8)17-7-16-10/h4-6H,1-3,7H2,(H,14,15)
InChI Key:
IFIGQTZWMXLWRC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.