2-(Methylamino)-2-(4-methylphenyl)acetic acid - CAS 704903-16-2
Catalog: |
BB059435 |
Product Name: |
2-(Methylamino)-2-(4-methylphenyl)acetic acid |
CAS: |
704903-16-2 |
Synonyms: |
2-(methylamino)-2-(4-methylphenyl)acetic acid; 2-(Methylamino)-2-(p-tolyl)acetic acid; 2-(Methylamino)-2-(p-tolyl)aceticacid |
IUPAC Name: | 2-(methylamino)-2-(4-methylphenyl)acetic acid |
Description: | 2-(Methylamino)-2-(4-methylphenyl)acetic acid |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | CC1=CC=C(C=C1)C(C(=O)O)NC |
InChI: | InChI=1S/C10H13NO2/c1-7-3-5-8(6-4-7)9(11-2)10(12)13/h3-6,9,11H,1-2H3,(H,12,13) |
InChI Key: | USRSPVZYWZMLRZ-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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