3-hydroxy-4-(hydroxymethyl)benzoic acid

3-hydroxy-4-(hydroxymethyl)benzoic acid

CAS: 74020-82-9

Formula: C8H8O4

SMILES: OCC1=CC=C(C=C1O)C(O)=O

IUPAC: 3-hydroxy-4-(hydroxymethyl)benzoic acid

InChI: InChI=1S/C8H8O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3,9-10H,4H2,(H,11,12)

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 168.148

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.042258738
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	LUQAZOYFYBTSKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.11
Topological Polar Surface Area	77.76
Polarizability	15.79
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	74020-82-9		$784.47-$1,911.14$784.47$1,911.14

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