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Home > Pyridines > 952182-11-5
952182-11-5 | tert-butyl N-[(4E)-4-(hydroxyimino)-4-(pyridin-2-yl)butyl]carbamate
CAS No: 952182-11-5 Catalog No: AG00JWA2 MDL No:MFCD09881454
Product Description
Catalog Number:
AG00JWA2
Chemical Name:
tert-butyl N-[(4E)-4-(hydroxyimino)-4-(pyridin-2-yl)butyl]carbamate
CAS Number:
952182-11-5
Molecular Formula:
C14H21N3O3
Molecular Weight:
279.3348
MDL Number:
MFCD09881454
IUPAC Name:
tert-butyl N-[(4E)-4-hydroxyimino-4-pyridin-2-ylbutyl]carbamate
InChI:
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)16-10-6-8-12(17-19)11-7-4-5-9-15-11/h4-5,7,9,19H,6,8,10H2,1-3H3,(H,16,18)/b17-12+
InChI Key:
KRLFPXNJRLONFS-SFQUDFHCSA-N
SMILES:
O/N=C(/c1ccccn1)\CCCNC(=O)OC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.34g/mol
Monoisotopic Mass:
279.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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