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4-Benzylresorcinol

CAT: 0127-OR1077605Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1077605Size:5 g
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CAS Number
2284-30-2
MDL Number
MFCD00059620
Purity
>97.0%
Smiles
C1=CC=C (C=C1) CC2=C (C=C (C=C2) O) O

Chemical Information

1,3-Benzenediol, 4-(phenylmethyl)-
CAS Number2284-30-2
PubChem CID75294
IUPAC Name4-benzylbenzene-1,3-diol
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP2.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity187
SMILES
C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
InChIKey
QVFIWTNWKHFVEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzenediol, 4-(phenylmethyl)-
CAS: 2284-30-2
CID: 75294
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity187
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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Alternative Products

CatalogName
sc-4856654-Benzylresorcinol
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
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