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58343-46-7 | 4-methyl-2H-1,3-benzodioxole-5-carbaldehyde
CAS No: 58343-46-7 Catalog No: AG01C9QH MDL No:MFCD22068726
Product Description
Catalog Number:
AG01C9QH
Chemical Name:
4-methyl-2H-1,3-benzodioxole-5-carbaldehyde
CAS Number:
58343-46-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD22068726
IUPAC Name:
4-methyl-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C9H8O3/c1-6-7(4-10)2-3-8-9(6)12-5-11-8/h2-4H,5H2,1H3
InChI Key:
UTICFRCFBMQTEH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1C)OCO2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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