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88174-30-5 | Benzaldehyde, 4-butoxy-2,6-dimethyl-
CAS No: 88174-30-5 Catalog No: AG004FIY MDL No:
Product Description
Catalog Number:
AG004FIY
Chemical Name:
Benzaldehyde, 4-butoxy-2,6-dimethyl-
CAS Number:
88174-30-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
4-butoxy-2,6-dimethylbenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-4-5-6-15-12-7-10(2)13(9-14)11(3)8-12/h7-9H,4-6H2,1-3H3
InChI Key:
UVBJHANYSLBRIS-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)c(c(c1)C)C=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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