methyl 2,5-diaminobenzoate

methyl 2,5-diaminobenzoate

CAS: 49592-84-9

Formula: C8H10N2O2

SMILES: COC(=O)C1=CC(N)=CC=C1N

IUPAC: methyl 2,5-diaminobenzoate

InChI: InChI=1S/C8H10N2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,9-10H2,1H3

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.07422757
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HRZXQRHIENGYTL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.48
Topological Polar Surface Area	78.34
Polarizability	17.04
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
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