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13326-69-7

13326-69-7 | Benzoic acid, 4-methoxy-3,5-bis(phenylmethoxy)-, methyl ester

CAS No: 13326-69-7 Catalog No: AG0014HP MDL No:MFCD11110556

Product Description

Catalog Number:
AG0014HP
Chemical Name:
Benzoic acid, 4-methoxy-3,5-bis(phenylmethoxy)-, methyl ester
CAS Number:
13326-69-7
Molecular Formula:
C23H22O5
Molecular Weight:
378.4178
MDL Number:
MFCD11110556
IUPAC Name:
methyl 4-methoxy-3,5-bis(phenylmethoxy)benzoate
InChI:
InChI=1S/C23H22O5/c1-25-22-20(27-15-17-9-5-3-6-10-17)13-19(23(24)26-2)14-21(22)28-16-18-11-7-4-8-12-18/h3-14H,15-16H2,1-2H3
InChI Key:
SPVLTRHWKJPFIC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCc2ccccc2)c(c(c1)OCc1ccccc1)OC

Properties

Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.147g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.424g/mol
Monoisotopic Mass:
378.147g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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