Home Carboxys trans-2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid

trans-2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid

CAS No.:
99226-02-5
Catalog Number:
AG00IK8Y
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
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Product Description
Catalog Number:
AG00IK8Y
Chemical Name:
trans-2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
CAS Number:
99226-02-5
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD09749700
IUPAC Name:
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
InChI:
InChI=1S/C12H12O5/c1-16-9-5-3-2-4-7(9)11-8(12(14)15)6-10(13)17-11/h2-5,8,11H,6H2,1H3,(H,14,15)/t8-,11+/m0/s1
InChI Key:
LMMNYYZCVYAOOF-GZMMTYOYSA-N
SMILES:
COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties