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207986-28-5 | Benzeneacetic acid, α-amino-α-cyclobutyl-
CAS No: 207986-28-5 Catalog No: AG002JEU MDL No:MFCD00019265
Product Description
Catalog Number:
AG002JEU
Chemical Name:
Benzeneacetic acid, α-amino-α-cyclobutyl-
CAS Number:
207986-28-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00019265
IUPAC Name:
2-amino-2-cyclobutyl-2-phenylacetic acid
InChI:
InChI=1S/C12H15NO2/c13-12(11(14)15,10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,15)
InChI Key:
WJDZBYJXQOFJJU-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)(C1CCC1)N
NSC Number:
125689
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/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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