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660398-05-0 | Isoquinoline, 7-(1-methylethoxy)- (9CI)
CAS No: 660398-05-0 Catalog No: AG00FTDX MDL No:
Product Description
Catalog Number:
AG00FTDX
Chemical Name:
Isoquinoline, 7-(1-methylethoxy)- (9CI)
CAS Number:
660398-05-0
IUPAC Name:
7-propan-2-yloxyisoquinoline
InChI:
InChI=1S/C12H13NO/c1-9(2)14-12-4-3-10-5-6-13-8-11(10)7-12/h3-9H,1-2H3
InChI Key:
IFYSEPKNNJHKGH-UHFFFAOYSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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