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13605-46-4 | 2-oxobenzo[d][1,3]dioxole-5-carbaldehyde
CAS No: 13605-46-4 Catalog No: AG01BI3Z MDL No:MFCD24673887
Product Description
Catalog Number:
AG01BI3Z
Chemical Name:
2-oxobenzo[d][1,3]dioxole-5-carbaldehyde
CAS Number:
13605-46-4
Molecular Formula:
C8H4O4
Molecular Weight:
164.1150
MDL Number:
MFCD24673887
IUPAC Name:
2-oxo-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H4O4/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-4H
InChI Key:
KLITYFPRKVFDCN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)oc(=O)o2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.116g/mol
Monoisotopic Mass:
164.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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