Home Other Building Blocks methyl 2-{2-[(tert-butoxy)methyl]phenyl}acetate

methyl 2-{2-[(tert-butoxy)methyl]phenyl}acetate

CAS No.:
1552448-87-9
Catalog Number:
AG01B9ZV
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
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Product Description
Catalog Number:
AG01B9ZV
Chemical Name:
methyl 2-{2-[(tert-butoxy)methyl]phenyl}acetate
CAS Number:
1552448-87-9
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD23659590
IUPAC Name:
methyl 2-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetate
InChI:
InChI=1S/C14H20O3/c1-14(2,3)17-10-12-8-6-5-7-11(12)9-13(15)16-4/h5-8H,9-10H2,1-4H3
InChI Key:
NUCHOORTJMTHOH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccc1COC(C)(C)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:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties