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1018660-79-1 | Benzeneacetic acid, α,α-dimethyl-4-(1-pyrrolidinyl)-
CAS No: 1018660-79-1 Catalog No: AG0005SC MDL No:
Product Description
Catalog Number:
AG0005SC
Chemical Name:
Benzeneacetic acid, α,α-dimethyl-4-(1-pyrrolidinyl)-
CAS Number:
1018660-79-1
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
2-methyl-2-(4-pyrrolidin-1-ylphenyl)propanoic acid
InChI:
InChI=1S/C14H19NO2/c1-14(2,13(16)17)11-5-7-12(8-6-11)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChI Key:
RULCESZWTZSFEF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)N1CCCC1)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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