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2241982-85-2 | Isoquinoline-5,8-D2
CAS No: 2241982-85-2 Catalog No: AG01FLLQ MDL No:
Product Description
Catalog Number:
AG01FLLQ
Chemical Name:
Isoquinoline-5,8-D2
CAS Number:
2241982-85-2
IUPAC Name:
isoquinoline
InChI:
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChI Key:
AWJUIBRHMBBTKR-UHFFFAOYSA-N
EC Number:
204-341-8
UNII:
JGX76Y85M6
NSC Number:
3395
FEMA Number:
2978
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.162g/mol
Monoisotopic Mass:
129.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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