2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic acid

2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic acid

CAS: 590395-60-1

Formula: C12H13ClO5

SMILES: CCOC1=CC(C=O)=CC(Cl)=C1OC(C)C(O)=O

IUPAC: 2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic acid

InChI: InChI=1/C12H13ClO5/c1-3-17-10-5-8(6-14)4-9(13)11(10)18-7(2)12(15)16/h4-7H,3H2,1-2H3,(H,15,16)

Composition: C (52.86%), H (4.81%), Cl (13.00%), O (29.34%)

Molar Mass: 272.68

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	272.0451512
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZQKVVBDFOFCEEA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.7
Topological Polar Surface Area	72.83
Polarizability	25.33
Ring Count	1
Rotatable Bond Count	6

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