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4024-14-0 | 1-Methyl-3,4-dihydronaphthalen-2(1H)-one
CAS No: 4024-14-0 Catalog No: AG003EHL MDL No:
Product Description
Catalog Number:
AG003EHL
Chemical Name:
1-Methyl-3,4-dihydronaphthalen-2(1H)-one
CAS Number:
4024-14-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
1-methyl-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C11H12O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8H,6-7H2,1H3
InChI Key:
VGZQKUJGVYFKBP-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1C)cccc2
EC Number:
223-690-7
NSC Number:
89281
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| An evaluation of four commercial HPLC chiral detectors: a comparison of three polarimeters and a circular dichroism detector. | Journal of pharmaceutical and biomedical analysis 20070104 |
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