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(R)-Tropic Acid Methyl Ester

CAT: 0572-TRC-T372110-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T372110-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32174-44-0
Hazard Statement
No Data Available
Smiles
COC(=O)[C@@H](CO)c1ccccc1
Molecular Formula
C10 H12 O3
Molecular Weight
180.201
InChI
InChI=1S/C10H12O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1
Additionnal Information
IUPAC name: methyl (2R)-3-hydroxy-2-phenylpropanoate
Shipping Conditions
Room Temperature

Chemical Information

(R)-Tropic Acid Methyl Ester
CAS Number32174-44-0
PubChem CID11052239
IUPAC Namemethyl (2R)-3-hydroxy-2-phenylpropanoate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
COC(=O)[C@@H](CO)C1=CC=CC=C1
InChI
InChI=1S/C10H12O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1
InChIKey
OLEWRQVKIUHEJP-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (R)-Tropic Acid Methyl Ester
CAS: 32174-44-0
CID: 11052239
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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