4-(3,4-dimethoxyphenyl)butanoic acid

4-(3,4-dimethoxyphenyl)butanoic acid

CAS: 13575-74-1

Formula: C12H16O4

SMILES: COC1=C(OC)C=C(CCCC(O)=O)C=C1

IUPAC: 4-(3,4-dimethoxyphenyl)butanoic acid

InChI: InChI=1S/C12H16O4/c1-15-10-7-6-9(8-11(10)16-2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)

Composition: C (64.27%), H (7.19%), O (28.54%)

Molar Mass: 224.256

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.104858995
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IDQKCIAJGRMMNC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.49
Topological Polar Surface Area	55.76
Polarizability	23.26
Ring Count	1
Rotatable Bond Count	6

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