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methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

CAS: 6386-38-5

Formula: C18H28O3

SMILES: COC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

IUPAC: methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

InChI: InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3

Composition: C (73.93%), H (9.65%), O (16.41%)

Molar Mass: 292.419

Atom Count: 49

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.203844762
Formal Charge 0
FSP3 0.61
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PXMJCECEFTYEKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.05
Topological Polar Surface Area 46.53
Polarizability 33.64
Ring Count 1
Rotatable Bond Count 6

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