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7170-50-5 | 3-(3-Chlorophenoxy)propanoic acid
CAS No: 7170-50-5 Catalog No: AG005FRI MDL No:MFCD00151673
Product Description
Catalog Number:
AG005FRI
Chemical Name:
3-(3-Chlorophenoxy)propanoic acid
CAS Number:
7170-50-5
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD00151673
IUPAC Name:
3-(3-chlorophenoxy)propanoic acid
InChI:
InChI=1S/C9H9ClO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
QSGKVNYPPAQLDO-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cccc(c1)Cl
EC Number:
230-522-6
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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