3-methoxy-4-(pentyloxy)benzoic acid

3-methoxy-4-(pentyloxy)benzoic acid

CAS: 95459-64-6

Formula: C13H18O4

SMILES: CCCCCOC1=C(OC)C=C(C=C1)C(O)=O

IUPAC: 3-methoxy-4-(pentyloxy)benzoic acid

InChI: InChI=1S/C13H18O4/c1-3-4-5-8-17-11-7-6-10(13(14)15)9-12(11)16-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)

Composition: C (65.53%), H (7.61%), O (26.86%)

Molar Mass: 238.283

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.12050906
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HVTHYMNEWWNSKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.72
Topological Polar Surface Area	55.76
Polarizability	25.07
Ring Count	1
Rotatable Bond Count	7

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