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DL-Asparagine monohydrate

CAT: 0926-FA29369-01Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0926-FA29369-01Size:1000 g
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CAS Number
3130-87-8
MDL Number
MFCD00151039
Smiles
C (C (C (=O) O) N) C (=O) N.O
Molecular Formula
C4H10N2O4
Molecular Weight
150.14 g/mol
Controlled
No

Chemical Information

DL-Asparagine monohydrate

See also: (-)-Asparagine (annotation moved to); D-Asparagine (annotation moved to); D,L-asparagine monohydrate (annotation moved to) ... View More ...

CAS Number3130-87-8
PubChem CID522362
IUPAC Name2,4-diamino-4-oxobutanoic acid;hydrate
Molecular FormulaC4H10N2O4
Molecular Weight150.13
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
C(C(C(=O)O)N)C(=O)N.O
InChI
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
InChIKey
RBMGJIZCEWRQES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Asparagine monohydrate
CAS: 3130-87-8
CID: 522362
Formula: C4H10N2O4
MW: 150.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass150.06405680
Monoisotopic Mass150.06405680
Topological Polar Surface Area107 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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