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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
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View on PubChemRaw 3D data
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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Alternative Products

CatalogName
MBS387957-01cis-Urocanic acid
CS-I-00538Cis-Urocanic Acid-[13C3]
HY-113008ASCis-Urocanic acid-13C3
M19542-01Urocanic acid

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