4-Guanidino-2-methoxybenzoic Acid - CAS 173731-96-9
Catalog: |
BB012946 |
Product Name: |
4-Guanidino-2-methoxybenzoic Acid |
CAS: |
173731-96-9 |
Synonyms: |
4-(diaminomethylideneamino)-2-methoxybenzoic acid; 4-(diaminomethylideneamino)-2-methoxybenzoic acid |
IUPAC Name: | 4-(diaminomethylideneamino)-2-methoxybenzoic acid |
Description: | 4-Guanidino-2-methoxybenzoic Acid (CAS# 173731-96-9 ) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C9H11N3O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)N=C(N)N)C(=O)O |
InChI: | InChI=1S/C9H11N3O3/c1-15-7-4-5(12-9(10)11)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H4,10,11,12) |
InChI Key: | GYYCWERYJWNAKZ-UHFFFAOYSA-N |
Boiling Point: | 380.2 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
LogP: | 1.57180 |
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Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.08004122 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 111 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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