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tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate

tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate

CAS: 130972-89-3

Formula: C13H19NO4

SMILES: COC1=CC(CNC(=O)OC(C)(C)C)=CC=C1O

IUPAC: tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate

InChI: InChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-8-9-5-6-10(15)11(7-9)17-4/h5-7,15H,8H2,1-4H3,(H,14,16)

Composition: C (61.64%), H (7.56%), N (5.53%), O (25.27%)

Molar Mass: 253.298

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.131408096
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SAFGFWHMYJRFPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.85
Topological Polar Surface Area 67.79
Polarizability 26.42
Ring Count 1
Rotatable Bond Count 5

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