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178306-52-0

178306-52-0 | Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-

CAS No: 178306-52-0 Catalog No: AG0025XD MDL No:MFCD11113284

Product Description

Catalog Number:
AG0025XD
Chemical Name:
Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-
CAS Number:
178306-52-0
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
MDL Number:
MFCD11113284
IUPAC Name:
(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
InChI:
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m1/s1
InChI Key:
RQJWOLFMWKZKCJ-CQSZACIVSA-N
SMILES:
COC([C@@H](C(=O)O)O)(c1ccccc1)c1ccccc1

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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