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methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate

methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate

CAS: 177036-78-1

Formula: C17H18O4

SMILES: COC(=O)[C@@H](O)C(OC)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate

InChI: InChI=1S/C17H18O4/c1-20-16(19)15(18)17(21-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3/t15-/m1/s1

Composition: C (71.31%), H (6.34%), O (22.35%)

Molar Mass: 286.327

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 286.12050906
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BEPLSLADXOJCBY-OAHLLOKOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.89
Topological Polar Surface Area 55.76
Polarizability 31.19
Ring Count 2
Rotatable Bond Count 6

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