-
Name
3-{[(allyloxy)carbonyl]amino}-5-hydroxybenzoic acid
- EINECS
- CAS No. 916766-99-9
- Density 1.412 g/cm3
- Solubility
- Melting Point 194.5 °C
- Formula C11H11NO5
- Boiling Point 398.9 °C at 760 mmHg
- Molecular Weight 237.20874
- Flash Point 195 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-{[(allyloxy)carbonyl]amino}-5-hydroxybenzoic acid;Allyl (3-carboxy-5-hydroxyphenyl)carbamate
- PSA 95.86000
- LogP 1.89790
Benzoicacid, 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]- Specification
The Benzoicacid, 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]-, with CAS registry number 916766-99-9, has the systematic name of 3-(allyloxycarbonylamino)-5-hydroxy-benzoic acid. Besides this, it is also called 3-{[(allyloxy)carbonyl]amino}-5-hydroxybenzoic acid. And the chemical formula of this chemical is C11H11NO5.
Physical properties of Benzoicacid, 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]-: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 95.86 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 60.07 cm3; (9)Molar Volume: 167.9 cm3; (10)Polarizability: 23.81×10-24cm3; (11)Surface Tension: 64.7 dyne/cm; (12)Density: 1.412 g/cm3; (13)Flash Point: 195 °C; (14)Enthalpy of Vaporization: 68.5 kJ/mol; (15)Boiling Point: 398.9 °C at 760 mmHg; (16)Vapour Pressure: 4.44E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C=CCOC(=O)Nc1cc(cc(c1)O)C(=O)O
(2)InChI: InChI=1/C11H11NO5/c1-2-3-17-11(16)12-8-4-7(10(14)15)5-9(13)6-8/h2,4-6,13H,1,3H2,(H,12,16)(H,14,15)
(3)InChIKey: MYOCYAGTJQROGX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H11NO5/c1-2-3-17-11(16)12-8-4-7(10(14)15)5-9(13)6-8/h2,4-6,13H,1,3H2,(H,12,16)(H,14,15)
(5)Std. InChIKey: MYOCYAGTJQROGX-UHFFFAOYSA-N
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- Benzoicacid, 2-hydroxy-5-methoxy-, methyl ester
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- Benzoicacid, 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]-
- Benzoicacid, 3-iodo-4-methoxy-, ethyl ester
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- Benzoicacid, 3-methoxy-2-methyl-, methyl ester
- Benzoicacid, 3-methoxy-4-methyl-2-nitro-, methyl ester
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