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73980-33-3 | Benzenepropanoic acid,4-(4-chlorophenoxy)-
CAS No: 73980-33-3 Catalog No: AG005IQD MDL No:
Product Description
Catalog Number:
AG005IQD
Chemical Name:
Benzenepropanoic acid,4-(4-chlorophenoxy)-
CAS Number:
73980-33-3
Molecular Formula:
C15H13ClO3
Molecular Weight:
276.7149
IUPAC Name:
3-[4-(4-chlorophenoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H13ClO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-2,4-9H,3,10H2,(H,17,18)
InChI Key:
OPAHFKPCAPTCAV-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)Oc1ccc(cc1)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.716g/mol
Monoisotopic Mass:
276.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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