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Home > Aldehydes > 831239-77-1
831239-77-1 | 3-(TERT-BUTYL)-5-METHYL-2-(2-PROPYN-1-YLOXY)-BENZALDEHYDE
CAS No: 831239-77-1 Catalog No: AG00510F MDL No:
Product Description
Catalog Number:
AG00510F
Chemical Name:
3-(TERT-BUTYL)-5-METHYL-2-(2-PROPYN-1-YLOXY)-BENZALDEHYDE
CAS Number:
831239-77-1
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
3-tert-butyl-5-methyl-2-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C15H18O2/c1-6-7-17-14-12(10-16)8-11(2)9-13(14)15(3,4)5/h1,8-10H,7H2,2-5H3
InChI Key:
LZTMNTOEFKVDDR-UHFFFAOYSA-N
SMILES:
C#CCOc1c(C=O)cc(cc1C(C)(C)C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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