2-(4-formylphenoxy)butanoic acid

2-(4-formylphenoxy)butanoic acid

CAS: 480994-55-6

Formula: C11H12O4

SMILES: CCC(OC1=CC=C(C=O)C=C1)C(O)=O

IUPAC: 2-(4-formylphenoxy)butanoic acid

InChI: InChI=1/C11H12O4/c1-2-10(11(13)14)15-9-5-3-8(7-12)4-6-9/h3-7,10H,2H2,1H3,(H,13,14)

Composition: C (63.45%), H (5.81%), O (30.74%)

Molar Mass: 208.213

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.073558866
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NDEBXGQJHIQFSU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.21
Topological Polar Surface Area	63.6
Polarizability	20.81
Ring Count	1
Rotatable Bond Count	5

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