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126746-20-1 | Benzeneacetic acid, α-amino-4-(1-methylethyl)-
CAS No: 126746-20-1 Catalog No: AG000T6G MDL No:
Product Description
Catalog Number:
AG000T6G
Chemical Name:
Benzeneacetic acid, α-amino-4-(1-methylethyl)-
CAS Number:
126746-20-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
2-amino-2-(4-propan-2-ylphenyl)acetic acid
InChI:
InChI=1S/C11H15NO2/c1-7(2)8-3-5-9(6-4-8)10(12)11(13)14/h3-7,10H,12H2,1-2H3,(H,13,14)
InChI Key:
UTHDNBNSZXJSDC-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)C(C)C)C(=O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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