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2059936-27-3 | 1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde
CAS No: 2059936-27-3 Catalog No: AG01B6LX MDL No:MFCD30497513
Product Description
Catalog Number:
AG01B6LX
Chemical Name:
1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde
CAS Number:
2059936-27-3
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
MDL Number:
MFCD30497513
IUPAC Name:
1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde
InChI:
InChI=1S/C16H23NO/c1-15(2,3)16(13-18)9-10-17(12-16)11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChI Key:
COXVEWWSGNCYLY-UHFFFAOYSA-N
SMILES:
O=CC1(CCN(C1)Cc1ccccc1)C(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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