2-amino-5-isopropylbenzoic acid

2-amino-5-isopropylbenzoic acid

CAS: 68701-22-4

Formula: C10H13NO2

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

IUPAC: 2-amino-5-(propan-2-yl)benzoic acid

InChI: InChI=1S/C10H13NO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QWNMKHLBVHTPFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.21
Topological Polar Surface Area	63.32
Polarizability	19.24
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	68701-22-4		$165.50-$1,027.57$165.50$330.99$1,027.57