Home Other Building Blocks 3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal

3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal

CAS No.:
2059931-82-5
Catalog Number:
AG01BRWB
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
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Product Description
Catalog Number:
AG01BRWB
Chemical Name:
3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal
CAS Number:
2059931-82-5
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD30535922
IUPAC Name:
3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal
InChI:
InChI=1S/C15H22O2/c1-11(10-16)8-12-6-7-14(17-5)13(9-12)15(2,3)4/h6-7,9-11H,8H2,1-5H3
InChI Key:
RPMAKFMKMMNPEX-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccc(c(c1)C(C)(C)C)OC)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties