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1415566-36-7 | 3-Pyrrolidineacetic acid, α,α-diphenyl-, hydrobromide (1:1), (3S)-
CAS No: 1415566-36-7 Catalog No: AG001GKH MDL No:
Product Description
Catalog Number:
AG001GKH
Chemical Name:
3-Pyrrolidineacetic acid, α,α-diphenyl-, hydrobromide (1:1), (3S)-
CAS Number:
1415566-36-7
Molecular Formula:
C18H20BrNO2
Molecular Weight:
362.2609
IUPAC Name:
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetic acid;hydrobromide
InChI:
InChI=1S/C18H19NO2.BrH/c20-17(21)18(16-11-12-19-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1-10,16,19H,11-13H2,(H,20,21);1H/t16-;/m1./s1
InChI Key:
DZGVIAXVBXGHPT-PKLMIRHRSA-N
SMILES:
OC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CNCC1.Br
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
361.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.267g/mol
Monoisotopic Mass:
361.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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