Home Other Building Blocks 2-[(benzyloxy)methyl]-2-methylbutanoic acid

2-[(benzyloxy)methyl]-2-methylbutanoic acid

CAS No.:
1603260-32-7
Catalog Number:
AG01DVRJ
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01DVRJ
Chemical Name:
2-[(benzyloxy)methyl]-2-methylbutanoic acid
CAS Number:
1603260-32-7
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD31559699
IUPAC Name:
2-methyl-2-(phenylmethoxymethyl)butanoic acid
InChI:
InChI=1S/C13H18O3/c1-3-13(2,12(14)15)10-16-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,15)
InChI Key:
QIZZVTODBDLUHE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(COCc1ccccc1)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties