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3-Phenylindan-1-one 95%

CAT: 0286-P12910-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
16618-72-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00037722
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Indanone, 3-phenyl-
CAS Number16618-72-7
PubChem CID98146
IUPAC Name3-phenyl-2,3-dihydroinden-1-one
Molecular FormulaC15H12O
Molecular Weight208.25
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity265
SMILES
C1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2
InChIKey
SIUOTMYWHGODQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Indanone, 3-phenyl-
CAS: 16618-72-7
CID: 98146
Formula: C15H12O
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass208.088815002
Monoisotopic Mass208.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
RG-A262590-011-Methyl-3-Phenylindan
T2323001,1,3-Trimethyl-3-phenylindan
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