Home Other Building Blocks 2-(2,3-dimethylphenoxymethyl)benzoic acid

2-(2,3-dimethylphenoxymethyl)benzoic acid

CAS No.:
938143-50-1
Catalog Number:
AG01ABYL
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
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Product Description
Catalog Number:
AG01ABYL
Chemical Name:
2-(2,3-dimethylphenoxymethyl)benzoic acid
CAS Number:
938143-50-1
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD09707344
IUPAC Name:
2-[(2,3-dimethylphenoxy)methyl]benzoic acid
InChI:
InChI=1S/C16H16O3/c1-11-6-5-9-15(12(11)2)19-10-13-7-3-4-8-14(13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key:
NZRMOEVSQVAUGM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1COc1cccc(c1C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties