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Home > Aldehydes > 861560-76-1
861560-76-1 | 4-methyl-2-oxobenzo[d][1,3]dioxole-5-carbaldehyde
CAS No: 861560-76-1 Catalog No: AG01BINV MDL No:MFCD24678437
Product Description
Catalog Number:
AG01BINV
Chemical Name:
4-methyl-2-oxobenzo[d][1,3]dioxole-5-carbaldehyde
CAS Number:
861560-76-1
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD24678437
IUPAC Name:
4-methyl-2-oxo-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C9H6O4/c1-5-6(4-10)2-3-7-8(5)13-9(11)12-7/h2-4H,1H3
InChI Key:
BZTGUYPBQQPPJO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1C)oc(=O)o2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.143g/mol
Monoisotopic Mass:
178.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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