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104174-29-0 | 4-(1-Methylpropoxy)benzaldehyde
CAS No: 104174-29-0 Catalog No: AG01F6CH MDL No:MFCD02629648
Product Description
Catalog Number:
AG01F6CH
Chemical Name:
4-(1-Methylpropoxy)benzaldehyde
CAS Number:
104174-29-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD02629648
IUPAC Name:
4-butan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-9H,3H2,1-2H3
InChI Key:
XQCGUGAYXITWSF-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1)C=O)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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