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890093-80-8 | 1-(1,2,3,4-Tetrahydroquinolin-8-yl);ethanone
CAS No: 890093-80-8 Catalog No: AG00IFK5 MDL No:MFCD06809679
Product Description
Catalog Number:
AG00IFK5
Chemical Name:
1-(1,2,3,4-Tetrahydroquinolin-8-yl);ethanone
CAS Number:
890093-80-8
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD06809679
IUPAC Name:
1-(1,2,3,4-tetrahydroquinolin-8-yl)ethanone
InChI:
InChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h2,4,6,12H,3,5,7H2,1H3
InChI Key:
JFEUTBAHESADDB-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1NCCC2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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