2-amino-3,6-dimethylbenzoic acid

2-amino-3,6-dimethylbenzoic acid

CAS: 15540-91-7

Formula: C9H11NO2

SMILES: CC1=CC=C(C)C(C(O)=O)=C1N

IUPAC: 2-amino-3,6-dimethylbenzoic acid

InChI: InChI=1S/C9H11NO2/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PFKMPZBEUUAELA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.1
Topological Polar Surface Area	63.32
Polarizability	17.33
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	15540-91-7		$112.70-$1,472.00$112.70$147.20$178.25$241.50$368.00$1,472.00