3,4,5-trihydroxybenzaldehyde hydrate

3,4,5-trihydroxybenzaldehyde hydrate

CAS: 207742-88-9

Formula: C7H8O5

SMILES: O.OC1=CC(C=O)=CC(O)=C1O

IUPAC: 3,4,5-trihydroxybenzaldehyde hydrate

InChI: InChI=1S/C7H6O4.H2O/c8-3-4-1-5(9)7(11)6(10)2-4;/h1-3,9-11H;1H2

Composition: C (48.84%), H (4.68%), O (46.47%)

Molar Mass: 172.136

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.037173358
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	OSEOMYNJYKADOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.58
Topological Polar Surface Area	77.76
Polarizability	14.13
Ring Count	1
Rotatable Bond Count	1

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