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204592-23-4 | Phenol, 4-(2-amino-2-methylpropyl)-, acetate (1:1)
CAS No: 204592-23-4 Catalog No: AG0029L1 MDL No:
Product Description
Catalog Number:
AG0029L1
Chemical Name:
Phenol, 4-(2-amino-2-methylpropyl)-, acetate (1:1)
CAS Number:
204592-23-4
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
acetic acid;4-(2-amino-2-methylpropyl)phenol
InChI:
InChI=1S/C10H15NO.C2H4O2/c1-10(2,11)7-8-3-5-9(12)6-4-8;1-2(3)4/h3-6,12H,7,11H2,1-2H3;1H3,(H,3,4)
InChI Key:
OSLYXCKFGQEMTK-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)O)(N)C.CC(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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