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67492-67-5 | 1,3-Benzodioxole-4-carboxaldehyde, 6-methoxy-
CAS No: 67492-67-5 Catalog No: AG006G8I MDL No:
Product Description
Catalog Number:
AG006G8I
Chemical Name:
1,3-Benzodioxole-4-carboxaldehyde, 6-methoxy-
CAS Number:
67492-67-5
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
6-methoxy-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C9H8O4/c1-11-7-2-6(4-10)9-8(3-7)12-5-13-9/h2-4H,5H2,1H3
InChI Key:
SADHRUBGJKARDZ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c2c(c1)OCO2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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