P-TOLYL-PHOSPHONIC ACID - CAS 3366-72-1
Catalog: |
BB043669 |
Product Name: |
P-TOLYL-PHOSPHONIC ACID |
CAS: |
3366-72-1 |
Synonyms: |
p-Tolylphosphonic acid; p-Methylphenylphosphonic acid; 4-Methylphenylphosphonic acid; Phosphonic acid, (4-methylphenyl)- |
IUPAC Name: | (4-methylphenyl)phosphonic acid |
Description: | P-TOLYL-PHOSPHONIC ACID (CAS# 3366-72-1 ) is a useful research chemical. |
Molecular Weight: | 172.12 |
Molecular Formula: | C7H9O3P |
Canonical SMILES: | CC1=CC=C(C=C1)P(=O)(O)O |
InChI: | InChI=1S/C7H9O3P/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) |
InChI Key: | LYNDWSARZJHIKU-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.02893114 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.02893114 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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