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17819-91-9

17819-91-9 | Benzoic acid, 2-methyl-4-(phenylmethoxy)-

CAS No: 17819-91-9 Catalog No: AG0025TW MDL No:MFCD00598375

Product Description

Catalog Number:
AG0025TW
Chemical Name:
Benzoic acid, 2-methyl-4-(phenylmethoxy)-
CAS Number:
17819-91-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD00598375
IUPAC Name:
2-methyl-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H14O3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
GAKFWANCNDKESO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)OCc1ccccc1

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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