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ammonium benzoate

ammonium benzoate

CAS: 1863-63-4

Formula: C7H9NO2

SMILES: [NH4+].[O-]C(=O)C1=CC=CC=C1

IUPAC: ammonium benzoate

InChI: InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 139.154

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 139.063328534
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VWSRWGFGAAKTQG-UHFFFAOYSA-N
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% <6 Days 1863-63-4 $6.90-$8.05$6.90$8.05
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98% <7 Days 1863-63-4 $5.18-$15.53$5.18$6.21$8.28$9.32$15.53
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98% <5 Days 1863-63-4 $40.35-$98.36$40.35$59.27$98.36
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