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2-Semicarbazideacetic acid

CAT: 0926-FS66560-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FS66560-01Size:100 mg
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CAS Number
138-07-8
Synonyms
2- (Aminoaminocarbonylamino) acetic acid
MDL Number
MFCD02683778
Smiles
C (C (=O) O) N (C (=O) N) N
Molecular Formula
C3H7N3O3
Molecular Weight
133.11 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

3-Aminohydantoic acid
CAS Number138-07-8
PubChem CID67308
IUPAC Name2-[amino(carbamoyl)amino]acetic acid
Molecular FormulaC3H7N3O3
Molecular Weight133.11
XLogP-4.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity134
SMILES
C(C(=O)O)N(C(=O)N)N
InChI
InChI=1S/C3H7N3O3/c4-3(9)6(5)1-2(7)8/h1,5H2,(H2,4,9)(H,7,8)
InChIKey
WHNSJMMQNFSFBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminohydantoic acid
CAS: 138-07-8
CID: 67308
Formula: C3H7N3O3
MW: 133.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.11
XLogP3-4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass133.04874109
Monoisotopic Mass133.04874109
Topological Polar Surface Area110 Ų
Heavy Atom Count9
Formal Charge0
Complexity134
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

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