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orcinol hydrate

orcinol hydrate

CAS: 6153-39-5

Formula: C7H10O3

SMILES: [H]O[H].CC1=CC(O)=CC(O)=C1

IUPAC: 5-methylbenzene-1,3-diol hydrate

InChI: InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2

Composition: C (59.15%), H (7.09%), O (33.76%)

Molar Mass: 142.154

Atom Count: 20

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 142.062994182
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NBKPNAMTHBIMLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.06
Topological Polar Surface Area 40.46
Polarizability 13.3
Ring Count 1
Rotatable Bond Count 0

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