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phenol trihydrate sodium

phenol trihydrate sodium

CAS: 156150-40-2

Formula: C6H12NaO4

SMILES: O.O.O.[Na].OC1=CC=CC=C1

IUPAC: phenol trihydrate sodium

InChI: InChI=1S/C6H6O.Na.3H2O/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;3*1H2

Composition: C (42.11%), H (7.07%), Na (13.43%), O (37.39%)

Molar Mass: 171.148

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.06332815
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BFWWCEDATVMKEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.04
Topological Polar Surface Area 20.23
Polarizability 10.94
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 156150-40-2 $8.28-$18.63$8.28$13.46$18.63
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