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8-Methyl-1-naphthaldehyde

CAT: 0127-OR83515-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR83515-01Size:100 mg
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CAS Number
6549-57-1
MDL Number
MFCD16293732
Purity
98%
Smiles
CC1=C2C(=CC=C1)C=CC=C2C=O

Chemical Information

8-Methyl-1-naphthaldehyde
CAS Number6549-57-1
PubChem CID15563487
IUPAC Name8-methylnaphthalene-1-carbaldehyde
Molecular FormulaC12H10O
Molecular Weight170.21
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
CC1=C2C(=CC=C1)C=CC=C2C=O
InChI
InChI=1S/C12H10O/c1-9-4-2-5-10-6-3-7-11(8-13)12(9)10/h2-8H,1H3
InChIKey
RHOGHORSTBGFPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methyl-1-naphthaldehyde
CAS: 6549-57-1
CID: 15563487
Formula: C12H10O
MW: 170.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.21
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass170.073164938
Monoisotopic Mass170.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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