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89240-13-1 | 7-Benzofurancarboxaldehyde, 2,3-dihydro-4,5,6-trimethyl-
CAS No: 89240-13-1 Catalog No: AG00449J MDL No:
Product Description
Catalog Number:
AG00449J
Chemical Name:
7-Benzofurancarboxaldehyde, 2,3-dihydro-4,5,6-trimethyl-
CAS Number:
89240-13-1
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
4,5,6-trimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
InChI:
InChI=1S/C12H14O2/c1-7-8(2)10-4-5-14-12(10)11(6-13)9(7)3/h6H,4-5H2,1-3H3
InChI Key:
PHDJBLKNKWSNQU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c2c1OCC2)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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