methyl 2-(3-amino-4-hydroxyphenyl)acetate

methyl 2-(3-amino-4-hydroxyphenyl)acetate

CAS: 78587-72-1

Formula: C9H11NO3

SMILES: COC(=O)CC1=CC(N)=C(O)C=C1

IUPAC: methyl 2-(3-amino-4-hydroxyphenyl)acetate

InChI: InChI=1S/C9H11NO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5,10H2,1H3

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CEPDWEWFQRUWPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.82
Topological Polar Surface Area	72.55
Polarizability	18.39
Ring Count	1
Rotatable Bond Count	3

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