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27752-23-4 | 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-(2-oxopropyl)-
CAS No: 27752-23-4 Catalog No: AG002UO6 MDL No:
Product Description
Catalog Number:
AG002UO6
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-(2-oxopropyl)-
CAS Number:
27752-23-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
6-methoxy-2-(2-oxopropyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C14H16O3/c1-9(15)7-11-4-3-10-8-12(17-2)5-6-13(10)14(11)16/h5-6,8,11H,3-4,7H2,1-2H3
InChI Key:
CIZOOAUTMGXOPZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(C2=O)CC(=O)C
NSC Number:
152874
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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