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Anastrozole Impurity 52

CAT: 1299-RM-A011552-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A011552-01Size:10 mg
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CAS Number
27711-63-3
Synonyms
(5-methyl-1,3-phenylene) dimethanol
Molecular Formula
C9H12O2
Molecular Weight
152.19
Target Alternative Name
Anastrozole
Product Name Synonym
(5-methyl-1,3-phenylene) dimethanol

Chemical Information

(3-Hydroxymethyl-5-methyl-phenyl)-methanol
CAS Number27711-63-3
PubChem CID316179
IUPAC Name[3-(hydroxymethyl)-5-methylphenyl]methanol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
CC1=CC(=CC(=C1)CO)CO
InChI
InChI=1S/C9H12O2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4,10-11H,5-6H2,1H3
InChIKey
RQYHAFYMNBWIML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Hydroxymethyl-5-methyl-phenyl)-methanol
CAS: 27711-63-3
CID: 316179
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
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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