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87264-39-9 | 1-Pyrrolidinecarboxaldehyde, 2-[3-(4-methoxyphenyl)-2-oxopropyl]-
CAS No: 87264-39-9 Catalog No: AG004PWY MDL No:
Product Description
Catalog Number:
AG004PWY
Chemical Name:
1-Pyrrolidinecarboxaldehyde, 2-[3-(4-methoxyphenyl)-2-oxopropyl]-
CAS Number:
87264-39-9
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
2-[3-(4-methoxyphenyl)-2-oxopropyl]pyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C15H19NO3/c1-19-15-6-4-12(5-7-15)9-14(18)10-13-3-2-8-16(13)11-17/h4-7,11,13H,2-3,8-10H2,1H3
InChI Key:
WIZFSLWRXJQPOH-UHFFFAOYSA-N
SMILES:
O=CN1CCCC1CC(=O)Cc1ccc(cc1)OC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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