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88170-75-6 | 2-Naphthalenecarboxaldehyde, 5,6-dihydro-1-hydroxy-4-methoxy-
CAS No: 88170-75-6 Catalog No: AG008BQ5 MDL No:
Product Description
Catalog Number:
AG008BQ5
Chemical Name:
2-Naphthalenecarboxaldehyde, 5,6-dihydro-1-hydroxy-4-methoxy-
CAS Number:
88170-75-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
1-hydroxy-4-methoxy-5,6-dihydronaphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H12O3/c1-15-11-6-8(7-13)12(14)10-5-3-2-4-9(10)11/h3,5-7,14H,2,4H2,1H3
InChI Key:
CSPYBIHZRGKPJZ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c2c1CCC=C2)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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