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820238-26-4

820238-26-4 | Isoquinoline, 5-propoxy-

CAS No: 820238-26-4 Catalog No: AG0053C3 MDL No:

Product Description

Catalog Number:
AG0053C3
Chemical Name:
Isoquinoline, 5-propoxy-
CAS Number:
820238-26-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
5-propoxyisoquinoline
InChI:
InChI=1S/C12H13NO/c1-2-8-14-12-5-3-4-10-9-13-7-6-11(10)12/h3-7,9H,2,8H2,1H3
InChI Key:
VEYWAJPJYHWFBB-UHFFFAOYSA-N
SMILES:
CCCOc1cccc2c1ccnc2

Properties

Complexity:
172  
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:
3  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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