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117423-75-3 | Benzoic acid, 3-(4-methoxyphenoxy)-
CAS No: 117423-75-3 Catalog No: AG000EBJ MDL No:MFCD03840104
Product Description
Catalog Number:
AG000EBJ
Chemical Name:
Benzoic acid, 3-(4-methoxyphenoxy)-
CAS Number:
117423-75-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD03840104
IUPAC Name:
3-(4-methoxyphenoxy)benzoic acid
InChI:
InChI=1S/C14H12O4/c1-17-11-5-7-12(8-6-11)18-13-4-2-3-10(9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
FSICQJNSMKWTNG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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