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Overview
| Molecular Formula |
C7H6O2 |
| Chemical Name |
Benzoic Acid |
Properties
| Molecular Weight (g/mol) |
122.12 g/mol |
| SMILES Notation |
C1=CC=C(C=C1)C(=O)O |
| InChI String |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChI Key |
WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| IUPAC Name |
Benzoic acid |
| LogP (Partition Coefficient) |
1.87 |
| Exact Mass (g/mol) |
122.04 g/mol |
| Monoisotopic Mass (g/mol) |
122.04 g/mol |
| Topological Polar Surface Area (Ų) |
40.13 |
| Molecular Complexity |
Moderate |
| Hydrogen Bond Donor Count |
1 |
| Hydrogen Bond Acceptor Count |
2 |
| Rotatable Bond Count |
1 |
| Heavy Atom Count |
9 |
Product 2, C₈H₁₀N₄O₂
Product Code : 11200
CAS Number : 58-08-2
Overview
| Molecular Formula |
C11H17NO2 |
| Chemical Name |
91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) |
195.26 |
| SMILES Notation |
CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String |
InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3
|
| InChI Key |
VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name |
2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) |
1.4 |
| Exact Mass (g/mol) |
195.125928785 |
| Monoisotopic Mass (g/mol) |
195.125928785 |
| Topological Polar Surface Area (Ų) |
43.7 |
| Molecular Complexity |
146 |
| Hydrogen Bond Donor Count |
2 |
| Hydrogen Bond Acceptor Count |
3 |
| Rotatable Bond Count |
5 |
| Heavy Atom Count |
14 |
Product 3, C₉H₈O₄
Product Code : 11201
CAS Number : 50-78-2
Overview
| Molecular Formula |
C11H17NO2 |
| Chemical Name |
91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) |
195.26 |
| SMILES Notation |
CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String |
InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3
|
| InChI Key |
VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name |
2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) |
1.4 |
| Exact Mass (g/mol) |
195.125928785 |
| Monoisotopic Mass (g/mol) |
195.125928785 |
| Topological Polar Surface Area (Ų) |
43.7 |
| Molecular Complexity |
146 |
| Hydrogen Bond Donor Count |
2 |
| Hydrogen Bond Acceptor Count |
3 |
| Rotatable Bond Count |
5 |
| Heavy Atom Count |
14 |