Home Other Building Blocks (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

CAS No.:
222555-06-8
Catalog Number:
AG00BDET
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$281
- +
1g
97%
1 week
United States
$541
- +
Product Description
Catalog Number:
AG00BDET
Chemical Name:
(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
CAS Number:
222555-06-8
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD06796580
IUPAC Name:
ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C13H18O4/c1-3-16-12(13(15)17-4-2)9-10-5-7-11(14)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3/t12-/m0/s1
InChI Key:
NEJJCKFYYBEQRQ-LBPRGKRZSA-N
SMILES:
CCO[C@H](C(=O)OCC)Cc1ccc(cc1)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties