3-Amino-3-(2,3-dimethylphenyl)propanoic acid - CAS 412925-12-3
Catalog: |
BB074866 |
Product Name: |
3-Amino-3-(2,3-dimethylphenyl)propanoic acid |
CAS: |
412925-12-3 |
Synonyms: |
β-Amino-2,3-dimethylbenzenepropanoic Acid |
IUPAC Name: | 3-amino-3-(2,3-dimethylphenyl)propanoic acid |
Description: | 3-Amino-3-(2,3-dimethylphenyl)propanoic acid |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)C(CC(=O)O)N)C |
InChI: | InChI=1S/C11H15NO2/c1-7-4-3-5-9(8(7)2)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14) |
InChI Key: | LFLCQYMIXBDOQL-UHFFFAOYSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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