Tìm theo
Benzoic Acid
food preservatives
Thuốc Gốc
Small Molecule
CAS: 65-85-0
CTHH: C7H6O2
PTK: 122.1213
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H6O2
Phân tử khối
122.1213
Monoisotopic mass
122.036779436
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key
InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N
IUPAC Name
benzoic acid
Traditional IUPAC Name
benzoic acid
SMILES
OC(=O)C1=CC=CC=C1
Độ tan chảy
122.4 °C
Độ sôi
249.2 °C
Độ hòa tan
3400 mg/L (at 25 °C)
logP
1.87
logS
-1.55
pKa (strongest acidic)
4.08
PSA
37.3 Å2
Refractivity
33.31 m3·mol-1
Polarizability
11.97 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
4.19 (at 25 °C)
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