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Cis-Urocanic acid 10mg

CAT: 0628-A13624-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13624-10Size:10 mg
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CAS Number
7699-35-6

Chemical Information

cis-Urocanic acid

Cis-urocanic acid is a urocanic acid in which the double bond of the carboxyethene moiety has Z configuration. It is a conjugate acid of a cis-urocanate.

CAS Number7699-35-6
PubChem CID1549103
IUPAC Name(Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
Molecular FormulaC6H6N2O2
Molecular Weight138.12
XLogP0
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity156
SMILES
C1=C(NC=N1)/C=C\C(=O)O
InChI
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-
InChIKey
LOIYMIARKYCTBW-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of cis-Urocanic acid
CAS: 7699-35-6
CID: 1549103
Formula: C6H6N2O2
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass138.042927438
Monoisotopic Mass138.042927438
Topological Polar Surface Area66 Ų
Heavy Atom Count10
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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