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85526-98-3 | Benzaldehyde, 5-acetyl-2-[(2-methyl-1-propenyl)oxy]-
CAS No: 85526-98-3 Catalog No: AG004USN MDL No:
Product Description
Catalog Number:
AG004USN
Chemical Name:
Benzaldehyde, 5-acetyl-2-[(2-methyl-1-propenyl)oxy]-
CAS Number:
85526-98-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
5-acetyl-2-(2-methylprop-1-enoxy)benzaldehyde
InChI:
InChI=1S/C13H14O3/c1-9(2)8-16-13-5-4-11(10(3)15)6-12(13)7-14/h4-8H,1-3H3
InChI Key:
IENDYULYLWXGDA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC=C(C)C)C(=O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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