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82994-31-8 | 2-Benzofurancarboxaldehyde, 7-methyl-4-(1-methylethyl)-
CAS No: 82994-31-8 Catalog No: AG0053RL MDL No:
Product Description
Catalog Number:
AG0053RL
Chemical Name:
2-Benzofurancarboxaldehyde, 7-methyl-4-(1-methylethyl)-
CAS Number:
82994-31-8
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
7-methyl-4-propan-2-yl-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C13H14O2/c1-8(2)11-5-4-9(3)13-12(11)6-10(7-14)15-13/h4-8H,1-3H3
InChI Key:
GCLNRHGLZHVTGD-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(c1)c(ccc2C)C(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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