Home Other Building Blocks 1,3-Benzodioxole, 4-methoxy-

1,3-Benzodioxole, 4-methoxy-

CAS No.:
1817-95-4
Catalog Number:
AG002325
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
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Product Description
Catalog Number:
AG002325
Chemical Name:
1,3-Benzodioxole, 4-methoxy-
CAS Number:
1817-95-4
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00508367
IUPAC Name:
4-methoxy-1,3-benzodioxole
InChI:
InChI=1S/C8H8O3/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4H,5H2,1H3
InChI Key:
BJMPSYHNUKWPGQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1OCO2
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties