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820237-05-6 | Benzaldehyde,4-(cyclobutylmethoxy)-3-methyl-
CAS No: 820237-05-6 Catalog No: AG005D9F MDL No:
Product Description
Catalog Number:
AG005D9F
Chemical Name:
Benzaldehyde,4-(cyclobutylmethoxy)-3-methyl-
CAS Number:
820237-05-6
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
4-(cyclobutylmethoxy)-3-methylbenzaldehyde
InChI:
InChI=1S/C13H16O2/c1-10-7-12(8-14)5-6-13(10)15-9-11-3-2-4-11/h5-8,11H,2-4,9H2,1H3
InChI Key:
ACVZOJHJHLMPLG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)OCC1CCC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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