4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid

4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid

CAS: 565171-75-7

Formula: C12H14O5

SMILES: CCOC1=C(O)C=CC(=C1)C(=O)CCC(O)=O

IUPAC: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid

InChI: InChI=1S/C12H14O5/c1-2-17-11-7-8(3-4-10(11)14)9(13)5-6-12(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)

Composition: C (60.50%), H (5.92%), O (33.58%)

Molar Mass: 238.239

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.084123551
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HMFFSXFQTCZSLY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.55
Topological Polar Surface Area	83.83
Polarizability	23.29
Ring Count	1
Rotatable Bond Count	6

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