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72928-50-8 | Acetaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-
CAS No: 72928-50-8 Catalog No: AG005N6Q MDL No:
Product Description
Catalog Number:
AG005N6Q
Chemical Name:
Acetaldehyde,2-[4-(1,1-dimethylethyl)phenoxy]-
CAS Number:
72928-50-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(4-tert-butylphenoxy)acetaldehyde
InChI:
InChI=1S/C12H16O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-8H,9H2,1-3H3
InChI Key:
MNRZECIRFMLTEY-UHFFFAOYSA-N
SMILES:
O=CCOc1ccc(cc1)C(C)(C)C
EC Number:
277-080-0
Properties
Complexity:
173
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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