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sodium benzoate

sodium benzoate

CAS: 532-32-1

Formula: C7H5NaO2

SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1

IUPAC: sodium benzoate

InChI: InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

Composition: C (58.34%), H (3.50%), Na (15.95%), O (22.20%)

Molar Mass: 144.105

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 144.01872368
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 44.15
Topological Polar Surface Area 40.13
Polarizability 12.57
Ring Count 1
Rotatable Bond Count 1

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99% <7 Days 532-32-1 $33.66$33.66
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99% <7 Days 532-32-1 $13.26-$104.04$13.26$17.34$23.46$33.66$104.04
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99% <7 Days 532-32-1 $6.21-$35.19$6.21$6.21$7.25$10.35$35.19
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98% <6 Days 532-32-1 $4.60-$9.20$4.60$5.75$9.20
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98% <4 Days 532-32-1 $38.22-$175.81$38.22$54.27$77.20$116.95$175.81
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