4-amino-3,5-dimethylbenzoic acid

4-amino-3,5-dimethylbenzoic acid

CAS: 4919-40-8

Formula: C9H11NO2

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

IUPAC: 4-amino-3,5-dimethylbenzoic acid

InChI: InChI=1S/C9H11NO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/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	NZEOOPXCKUWJDQ-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	4919-40-8		$112.70-$2,290.80$112.70$124.20$143.75$166.75$572.70$2,290.80

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