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1260810-84-1 | Carbamic acid, N-[[1-(3-formylphenyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1260810-84-1 Catalog No: AG000RCT MDL No:
Product Description
Catalog Number:
AG000RCT
Chemical Name:
Carbamic acid, N-[[1-(3-formylphenyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1260810-84-1
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
IUPAC Name:
tert-butyl N-[[1-(3-formylphenyl)pyrrolidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)18-10-14-7-8-19(11-14)15-6-4-5-13(9-15)12-20/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,18,21)
InChI Key:
ZIJJCLFPCKZWHE-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1CCC(C1)CNC(=O)OC(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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