Home Other Building Blocks Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, ethyl ester

Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, ethyl ester

CAS No.:
177429-27-5
Catalog Number:
AG0025B2
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
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Product Description
Catalog Number:
AG0025B2
Chemical Name:
Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, ethyl ester
CAS Number:
177429-27-5
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
MDL Number:
MFCD26385855
IUPAC Name:
ethyl 3-hydroxy-4-phenylmethoxybenzoate
InChI:
InChI=1S/C16H16O4/c1-2-19-16(18)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChI Key:
FAENFNUEKOZHCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)O)OCc1ccccc1
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties