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85943-26-6 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-methoxy-
CAS No: 85943-26-6 Catalog No: AG004MSE MDL No:MFCD06246086
Product Description
Catalog Number:
AG004MSE
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-methoxy-
CAS Number:
85943-26-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD06246086
IUPAC Name:
5-tert-butyl-2-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-8H,1-4H3
InChI Key:
OBYAZZBWVOYPRX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)C(C)(C)C
Properties
Complexity:
193
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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