3-isopropylcatechol

3-isopropylcatechol

CAS: 2138-48-9

Formula: C9H12O2

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

IUPAC: 3-(propan-2-yl)benzene-1,2-diol

InChI: InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3

Composition: C (71.03%), H (7.95%), O (21.02%)

Molar Mass: 152.193

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.083729626
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XLZHGKDRKSKCAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.21
Topological Polar Surface Area	40.46
Polarizability	16.98
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	2138-48-9		$156.15-$841.50$156.15$296.40$841.50