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16817-34-8 | 2-Benzofurancarboxaldehyde, 3,5-dimethyl-
CAS No: 16817-34-8 Catalog No: AG001XWO MDL No:MFCD07186441
Product Description
Catalog Number:
AG001XWO
Chemical Name:
2-Benzofurancarboxaldehyde, 3,5-dimethyl-
CAS Number:
16817-34-8
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD07186441
IUPAC Name:
3,5-dimethyl-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)8(2)11(6-12)13-10/h3-6H,1-2H3
InChI Key:
TYIPIMZOCMOZOM-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(c1C)cc(cc2)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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