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4965-16-6 | 2-ACETYL-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 4965-16-6 Catalog No: AG006ZHG MDL No:
Product Description
Catalog Number:
AG006ZHG
Chemical Name:
2-ACETYL-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
4965-16-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-(1-methylidene-3,4-dihydroisoquinolin-2-yl)ethanone
InChI:
InChI=1S/C12H13NO/c1-9-12-6-4-3-5-11(12)7-8-13(9)10(2)14/h3-6H,1,7-8H2,2H3
InChI Key:
UPLGFWZANIAOEF-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1=C)cccc2
Properties
Complexity:
259
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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