Home Other Building Blocks 3-[3-(benzyloxy)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid

3-[3-(benzyloxy)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid

CAS No.:
1423028-78-7
Catalog Number:
AG01A2B6
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
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Product Description
Catalog Number:
AG01A2B6
Chemical Name:
3-[3-(benzyloxy)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid
CAS Number:
1423028-78-7
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
MDL Number:
MFCD22566088
IUPAC Name:
3-hydroxy-2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoic acid
InChI:
InChI=1S/C18H20O4/c1-18(2,17(20)21)16(19)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11,16,19H,12H2,1-2H3,(H,20,21)
InChI Key:
KXIZDHAFHFEPOU-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1cccc(c1)OCc1ccccc1)O)(C)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties