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521313-70-2

521313-70-2 | Isoquinoline, 5-(2-propenyloxy)- (9CI)

CAS No: 521313-70-2 Catalog No: AG00DZ85 MDL No:

Product Description

Catalog Number:
AG00DZ85
Chemical Name:
Isoquinoline, 5-(2-propenyloxy)- (9CI)
CAS Number:
521313-70-2
IUPAC Name:
5-prop-2-enoxyisoquinoline
InChI:
InChI=1S/C12H11NO/c1-2-8-14-12-5-3-4-10-9-13-7-6-11(10)12/h2-7,9H,1,8H2
InChI Key:
SIWBLMWXAFWKJM-UHFFFAOYSA-N

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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