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Oxazole-4-carbohydrazide

CAT: 0572-TRC-E588903-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E588903-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885274-12-4
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NNC(=O)c1cocn1
Molecular Formula
C4H5N3O2
Molecular Weight
127.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oxazole-4-carbohydrazide
CAS Number885274-12-4
PubChem CID49761715
IUPAC Name1,3-oxazole-4-carbohydrazide
Molecular FormulaC4H5N3O2
Molecular Weight127.10
XLogP-0.8
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity116
SMILES
C1=C(N=CO1)C(=O)NN
InChI
InChI=1S/C4H5N3O2/c5-7-4(8)3-1-9-2-6-3/h1-2H,5H2,(H,7,8)
InChIKey
BJKXXQQGEZGQSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxazole-4-carbohydrazide
CAS: 885274-12-4
CID: 49761715
Formula: C4H5N3O2
MW: 127.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight127.10
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass127.038176411
Monoisotopic Mass127.038176411
Topological Polar Surface Area81.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes