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95333-95-2 | 3-(3,5-Dichlorophenyl)propanoic acid
CAS No: 95333-95-2 Catalog No: AG003I1W MDL No:MFCD04037332
Product Description
Catalog Number:
AG003I1W
Chemical Name:
3-(3,5-Dichlorophenyl)propanoic acid
CAS Number:
95333-95-2
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD04037332
IUPAC Name:
3-(3,5-dichlorophenyl)propanoic acid
InChI:
InChI=1S/C9H8Cl2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)
InChI Key:
GQICJNXGCGRFBA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(Cl)cc(c1)Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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