(1-Hydroxycyclohexyl) (phenyl) methanone

CAT: 0127-OR75280-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR75280-01Size:500 g

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CAS Number

947-19-3

MDL Number

MFCD00059561

Purity

98%

Smiles

C1=CC=CC=C1C(C2(CCCCC2)O)=O

Chemical Information

1-Hydroxycyclohexyl phenyl ketone

a photoinitiator mutagen

CAS Number	947-19-3
PubChem CID	70355
IUPAC Name	(1-hydroxycyclohexyl)-phenylmethanone
Molecular Formula	C13H16O2
Molecular Weight	204.26
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	223

SMILES

C1CCC(CC1)(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2

InChIKey

QNODIIQQMGDSEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 947-19-3

CID: 70355

Formula: C13H16O2

MW: 204.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.26
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.115029749
Monoisotopic Mass	204.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR1100621-01	(3- (methylthio) phenyl) (phenyl) methanone

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