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88422-90-6 | Isoquinoline, 1-(ethoxymethyl)-3,4-dihydro-
CAS No: 88422-90-6 Catalog No: AG004ET1 MDL No:
Product Description
Catalog Number:
AG004ET1
Chemical Name:
Isoquinoline, 1-(ethoxymethyl)-3,4-dihydro-
CAS Number:
88422-90-6
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-(ethoxymethyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C12H15NO/c1-2-14-9-12-11-6-4-3-5-10(11)7-8-13-12/h3-6H,2,7-9H2,1H3
InChI Key:
NENUROUAIGJZTN-UHFFFAOYSA-N
SMILES:
CCOCC1=NCCc2c1cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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