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Home > Pyridines > 952182-12-6
952182-12-6 | tert-butyl N-[(4E)-4-(hydroxyimino)-4-(pyridin-3-yl)butyl]carbamate
CAS No: 952182-12-6 Catalog No: AG00JWA4 MDL No:MFCD09881456
Product Description
Catalog Number:
AG00JWA4
Chemical Name:
tert-butyl N-[(4E)-4-(hydroxyimino)-4-(pyridin-3-yl)butyl]carbamate
CAS Number:
952182-12-6
Molecular Formula:
C14H21N3O3
Molecular Weight:
279.3348
MDL Number:
MFCD09881456
IUPAC Name:
tert-butyl N-[(4E)-4-hydroxyimino-4-pyridin-3-ylbutyl]carbamate
InChI:
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)16-9-5-7-12(17-19)11-6-4-8-15-10-11/h4,6,8,10,19H,5,7,9H2,1-3H3,(H,16,18)/b17-12+
InChI Key:
WDUTZEGDLXIRSG-SFQUDFHCSA-N
SMILES:
O/N=C(/c1cccnc1)\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:
1.8
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