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Methyl 2- ((4-chlorophenyl) (hydroxy) methyl) acrylate

CAT: 0127-OR1082292Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
131469-67-5
Smiles
C1c (ccc (c1) C (O) C (=C) C (=O) OC) Cl

Chemical Information

Methyl 2-[(4-chlorophenyl)(hydroxy)methyl]prop-2-enoate
CAS Number131469-67-5
PubChem CID10376430
IUPAC Namemethyl 2-[(4-chlorophenyl)-hydroxymethyl]prop-2-enoate
Molecular FormulaC11H11ClO3
Molecular Weight226.65
XLogP2.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
COC(=O)C(=C)C(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C11H11ClO3/c1-7(11(14)15-2)10(13)8-3-5-9(12)6-4-8/h3-6,10,13H,1H2,2H3
InChIKey
GBKHNNKNMGBHSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-[(4-chlorophenyl)(hydroxy)methyl]prop-2-enoate
CAS: 131469-67-5
CID: 10376430
Formula: C11H11ClO3
MW: 226.65
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight226.65
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass226.0396719
Monoisotopic Mass226.0396719
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
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