Home Other Building Blocks 1,3-Benzodioxole-4-propanoic acid

1,3-Benzodioxole-4-propanoic acid

CAS No.:
20974-68-9
Catalog Number:
AG002KEN
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG002KEN
Chemical Name:
1,3-Benzodioxole-4-propanoic acid
CAS Number:
20974-68-9
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD20639318
IUPAC Name:
3-(1,3-benzodioxol-4-yl)propanoic acid
InChI:
InChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8-10(7)14-6-13-8/h1-3H,4-6H2,(H,11,12)
InChI Key:
ZYDCENGYZQQPSK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc2c1OCO2
NSC Number:
28957
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties