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155220-62-5 | Pyrrolidine, 3-methyl-2-phenyl-, cis- (9CI)
CAS No: 155220-62-5 Catalog No: AG001NR9 MDL No:
Product Description
Catalog Number:
AG001NR9
Chemical Name:
Pyrrolidine, 3-methyl-2-phenyl-, cis- (9CI)
CAS Number:
155220-62-5
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
(2R,3S)-3-methyl-2-phenylpyrrolidine
InChI:
InChI=1S/C11H15N/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1
InChI Key:
CWOJBVGDNJVMNZ-GXSJLCMTSA-N
SMILES:
C[C@H]1CCN[C@H]1c1ccccc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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