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1341845-75-7 | 2-n-Butoxy-5-methylbenzaldehyde
CAS No: 1341845-75-7 Catalog No: AG01FEV8 MDL No:
Product Description
Catalog Number:
AG01FEV8
Chemical Name:
2-n-Butoxy-5-methylbenzaldehyde
CAS Number:
1341845-75-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-butoxy-5-methylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-3-4-7-14-12-6-5-10(2)8-11(12)9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
QHUBXTBHVMZTFJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C=O)C
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
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