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methyl 3-(2-hydroxy-5-methoxyphenyl)-3-oxopropanoate

methyl 3-(2-hydroxy-5-methoxyphenyl)-3-oxopropanoate

CAS: 132017-99-3

Formula: C11H12O5

SMILES: COC(=O)CC(=O)C1=CC(OC)=CC=C1O

IUPAC: methyl 3-(2-hydroxy-5-methoxyphenyl)-3-oxopropanoate

InChI: InChI=1S/C11H12O5/c1-15-7-3-4-9(12)8(5-7)10(13)6-11(14)16-2/h3-5,12H,6H2,1-2H3

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 4
Hydrogen Bond Donor Count 1
InChIKey VCCBPXZEMNEBHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.02
Topological Polar Surface Area 72.83
Polarizability 21.71
Ring Count 1
Rotatable Bond Count 5

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