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68950-67-4 | 6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRO-[2]-NAPHTHALDEHYDE
CAS No: 68950-67-4 Catalog No: AG005MYQ MDL No:MFCD07779052
Product Description
Catalog Number:
AG005MYQ
Chemical Name:
6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRO-[2]-NAPHTHALDEHYDE
CAS Number:
68950-67-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD07779052
IUPAC Name:
6-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H12O3/c1-15-10-4-5-11-8(6-10)2-3-9(7-13)12(11)14/h4-7,9H,2-3H2,1H3
InChI Key:
NTVKOYKLIKUWHM-UHFFFAOYSA-N
SMILES:
O=CC1CCc2c(C1=O)ccc(c2)OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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