1-(2-hydroxyethyl) 4-methyl benzene-1,4-dicarboxylate

1-(2-hydroxyethyl) 4-methyl benzene-1,4-dicarboxylate

CAS: 3645-00-9

Formula: C11H12O5

SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OCCO

IUPAC: 1-(2-hydroxyethyl) 4-methyl benzene-1,4-dicarboxylate

InChI: InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3

Composition: C (58.93%), H (5.39%), O (35.68%)

Molar Mass: 224.212

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.068473486
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.4
Topological Polar Surface Area	72.83
Polarizability	21.7
Ring Count	1
Rotatable Bond Count	6

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