3-[4-(hydroxymethyl)phenoxy]propanoic acid

3-[4-(hydroxymethyl)phenoxy]propanoic acid

CAS: 101366-61-4

Formula: C10H12O4

SMILES: OCC1=CC=C(OCCC(O)=O)C=C1

IUPAC: 3-[4-(hydroxymethyl)phenoxy]propanoic acid

InChI: InChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)

Composition: C (61.22%), H (6.17%), O (32.62%)

Molar Mass: 196.202

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.073558866
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WPWKJUVXEMKOHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.12
Topological Polar Surface Area	66.76
Polarizability	19.54
Ring Count	1
Rotatable Bond Count	5

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