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Home > Nitro Compounds > 652145-59-0
652145-59-0 | 4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-1-methyl-
CAS No: 652145-59-0 Catalog No: AG00H6RX MDL No:
Product Description
Catalog Number:
AG00H6RX
Chemical Name:
4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-1-methyl-
CAS Number:
652145-59-0
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
4-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-4-carbonitrile
InChI:
InChI=1S/C14H17N3O3/c1-16-7-5-14(10-15,6-8-16)12-9-11(17(18)19)3-4-13(12)20-2/h3-4,9H,5-8H2,1-2H3
InChI Key:
AIRNNUNYLWJFHB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C1(CCN(CC1)C)C#N)[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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