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67498-15-1

67498-15-1 | METHYL 3-HYDROXY-2,2-DIMETHOXY-3-PHENYL-PROPANOATE

CAS No: 67498-15-1 Catalog No: AG006G8A MDL No:

Product Description

Catalog Number:
AG006G8A
Chemical Name:
METHYL 3-HYDROXY-2,2-DIMETHOXY-3-PHENYL-PROPANOATE
CAS Number:
67498-15-1
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
methyl 3-hydroxy-2,2-dimethoxy-3-phenylpropanoate
InChI:
InChI=1S/C12H16O5/c1-15-11(14)12(16-2,17-3)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3
InChI Key:
NAKODYMBTIUVFS-UHFFFAOYSA-N
SMILES:
COC(C(c1ccccc1)O)(C(=O)OC)OC
NSC Number:
362899

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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