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136949-71-8 | 2(1H)-Naphthalenone, 5-chloro-3,4-dihydro-8-methoxy-
CAS No: 136949-71-8 Catalog No: AG0012KY MDL No:
Product Description
Catalog Number:
AG0012KY
Chemical Name:
2(1H)-Naphthalenone, 5-chloro-3,4-dihydro-8-methoxy-
CAS Number:
136949-71-8
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
5-chloro-8-methoxy-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C11H11ClO2/c1-14-11-5-4-10(12)8-3-2-7(13)6-9(8)11/h4-5H,2-3,6H2,1H3
InChI Key:
TYYGBVYIWWOBMR-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CC(=O)CC2)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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