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67698-69-5 | 3-ISOBUTOXYBENZALDEHYDE
CAS No: 67698-69-5 Catalog No: AG00643K MDL No:MFCD01993681
Product Description
Catalog Number:
AG00643K
Chemical Name:
3-ISOBUTOXYBENZALDEHYDE
CAS Number:
67698-69-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD01993681
IUPAC Name:
3-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3
InChI Key:
KYAHWUCUKPTNKW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCC(C)C
Properties
Complexity:
154
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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