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methyl 2-amino-4-(benzyloxy)-5-methoxybenzoate

methyl 2-amino-4-(benzyloxy)-5-methoxybenzoate

CAS: 61032-42-6

Formula: C16H17NO4

SMILES: COC(=O)C1=CC(OC)=C(OCC2=CC=CC=C2)C=C1N

IUPAC: methyl 2-amino-4-(benzyloxy)-5-methoxybenzoate

InChI: InChI=1S/C16H17NO4/c1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11/h3-9H,10,17H2,1-2H3

Composition: C (66.89%), H (5.96%), N (4.88%), O (22.27%)

Molar Mass: 287.315

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.115758031
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CKHQUPXMMAOBTC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.32
Topological Polar Surface Area 70.78
Polarizability 30.52
Ring Count 2
Rotatable Bond Count 6

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