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Rac styrene glycol

CAT: 0926-FR27572-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FR27572-01Size:250 g
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CAS Number
93-56-1
Synonyms
1-Phenyl-1,2-ethanediol; (1,2-Dihydroxyethyl) benzene; (RS) -1-phenyl-1,2-ethanediol
MDL Number
MFCD00003546
Smiles
C1=CC=C (C=C1) C (CO) O
Molecular Formula
C8H10O2
Molecular Weight
138.16 g/mol
Controlled
No

Chemical Information

1-Phenyl-1,2-ethanediol

1-Phenyl-1,2-ethanediol is a member of benzenes.

CAS Number93-56-1
PubChem CID7149
IUPAC Name1-phenylethane-1,2-diol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP0.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
C1=CC=C(C=C1)C(CO)O
InChI
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey
PWMWNFMRSKOCEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-1,2-ethanediol
CAS: 93-56-1
CID: 7149
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
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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