3,5-dihydroxy-4-methoxybenzoic acid

3,5-dihydroxy-4-methoxybenzoic acid

CAS: 4319-02-2

Formula: C8H8O5

SMILES: COC1=C(O)C=C(C=C1O)C(O)=O

IUPAC: 3,5-dihydroxy-4-methoxybenzoic acid

InChI: InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)

Composition: C (52.18%), H (4.38%), O (43.44%)

Molar Mass: 184.147

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.037173358
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	UBXDWYFLYYJQFR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.74
Topological Polar Surface Area	86.99
Polarizability	16.53
Ring Count	1
Rotatable Bond Count	2

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