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130378-74-4 | Pyrrolidine, 1-[2-[4-(3-phenyl-2H-1-benzopyran-2-yl)phenoxy]ethyl]-
CAS No: 130378-74-4 Catalog No: AG000UC0 MDL No:
Product Description
Catalog Number:
AG000UC0
Chemical Name:
Pyrrolidine, 1-[2-[4-(3-phenyl-2H-1-benzopyran-2-yl)phenoxy]ethyl]-
CAS Number:
130378-74-4
Molecular Formula:
C27H27NO2
Molecular Weight:
397.5088
IUPAC Name:
1-[2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
InChI:
InChI=1S/C27H27NO2/c1-2-8-21(9-3-1)25-20-23-10-4-5-11-26(23)30-27(25)22-12-14-24(15-13-22)29-19-18-28-16-6-7-17-28/h1-5,8-15,20,27H,6-7,16-19H2
InChI Key:
KWBXGHFQOFIZKE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=Cc2ccccc2OC1c1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.204g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.518g/mol
Monoisotopic Mass:
397.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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