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methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate

methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate

CAS: 55822-86-1

Formula: C10H12O4

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

IUPAC: methyl 3-hydroxy-3-(3-hydroxyphenyl)propanoate

InChI: InChI=1/C10H12O4/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,11-12H,6H2,1H3

Composition: C (61.22%), H (6.17%), O (32.62%)

Molar Mass: 196.202

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 196.073558866
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RJGKHTZHLGBJHK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.08
Topological Polar Surface Area 66.76
Polarizability 19.71
Ring Count 1
Rotatable Bond Count 4

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