3-amino-4-(3-methylbutoxy)benzoic acid

3-amino-4-(3-methylbutoxy)benzoic acid

CAS: 1096879-46-7

Formula: C12H17NO3

SMILES: CC(C)CCOC1=C(N)C=C(C=C1)C(O)=O

IUPAC: 3-amino-4-(3-methylbutoxy)benzoic acid

InChI: InChI=1S/C12H17NO3/c1-8(2)5-6-16-11-4-3-9(12(14)15)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.120843411
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WCRXLOVISGRZSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.9
Topological Polar Surface Area	72.55
Polarizability	23.69
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1096879-46-7		$51.35-$326.66$51.35$63.37$86.31$218.50$326.66