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2-Phenylhex-5-enoic acid

CAT: 0926-GGA29700-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GGA29700-01Size:50 mg
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CAS Number
156297-00-6
MDL Number
MFCD20641247
Smiles
C=CCCC (C1=CC=CC=C1) C (=O) O
Molecular Formula
C12H14O2
Molecular Weight
190.24 g/mol
Controlled
No

Chemical Information

2-Phenylhex-5-enoic acid
CAS Number156297-00-6
PubChem CID15365755
IUPAC Name2-phenylhex-5-enoic acid
Molecular FormulaC12H14O2
Molecular Weight190.24
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
C=CCCC(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C12H14O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2,(H,13,14)
InChIKey
LXIOHNZHJXHBTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylhex-5-enoic acid
CAS: 156297-00-6
CID: 15365755
Formula: C12H14O2
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
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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