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88165-85-9 | 2-Naphthalenecarboxaldehyde, 1,2,3,4-tetrahydro-4-oxo-
CAS No: 88165-85-9 Catalog No: AG008C13 MDL No:
Product Description
Catalog Number:
AG008C13
Chemical Name:
2-Naphthalenecarboxaldehyde, 1,2,3,4-tetrahydro-4-oxo-
CAS Number:
88165-85-9
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
4-oxo-2,3-dihydro-1H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C11H10O2/c12-7-8-5-9-3-1-2-4-10(9)11(13)6-8/h1-4,7-8H,5-6H2
InChI Key:
HAYIWQLKDYYNHU-UHFFFAOYSA-N
SMILES:
O=CC1CC(=O)c2c(C1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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