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820236-97-3 | Benzaldehyde, 4-butoxy-3-methyl-
CAS No: 820236-97-3 Catalog No: AG005D9G MDL No:
Product Description
Catalog Number:
AG005D9G
Chemical Name:
Benzaldehyde, 4-butoxy-3-methyl-
CAS Number:
820236-97-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-butoxy-3-methylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-3-4-7-14-12-6-5-11(9-13)8-10(12)2/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
OSWMOBLBJZTDBI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C)C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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