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22921-59-1 | Benzaldehyde, 2-(1-methylpropoxy)-
CAS No: 22921-59-1 Catalog No: AG002LII MDL No:MFCD02629688
Product Description
Catalog Number:
AG002LII
Chemical Name:
Benzaldehyde, 2-(1-methylpropoxy)-
CAS Number:
22921-59-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD02629688
IUPAC Name:
2-butan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-9H,3H2,1-2H3
InChI Key:
NHIGQSREBZKSAJ-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccccc1C=O)C
Properties
Complexity:
156
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:
3
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