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methyl 2-amino-5-ethylbenzoate

methyl 2-amino-5-ethylbenzoate

Formula: C10H13NO2

SMILES: CCC1=CC(C(=O)OC)=C(N)C=C1

IUPAC: methyl 2-amino-5-ethylbenzoate

InChI: InChI=1S/C10H13NO2/c1-3-7-4-5-9(11)8(6-7)10(12)13-2/h4-6H,3,11H2,1-2H3

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.094628663
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZJDZGWIALYBAIL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.43
Topological Polar Surface Area 52.32
Polarizability 19.49
Ring Count 1
Rotatable Bond Count 3

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