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130647-44-8 | 2-Quinoxalinecarbonitrile, 5,6,7,8-tetrahydro-3-methoxy-
CAS No: 130647-44-8 Catalog No: AG000UQF MDL No:
Product Description
Catalog Number:
AG000UQF
Chemical Name:
2-Quinoxalinecarbonitrile, 5,6,7,8-tetrahydro-3-methoxy-
CAS Number:
130647-44-8
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
IUPAC Name:
3-methoxy-5,6,7,8-tetrahydroquinoxaline-2-carbonitrile
InChI:
InChI=1S/C10H11N3O/c1-14-10-9(6-11)12-7-4-2-3-5-8(7)13-10/h2-5H2,1H3
InChI Key:
TUSNSQXMIIWIPC-UHFFFAOYSA-N
SMILES:
N#Cc1nc2CCCCc2nc1OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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