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DL- Asparagine Monohydrate

CAT: 1442-1013070 25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1442-1013070 25Size:25 mg
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CAS Number
3130-87-8
Molecular Formula
NH2COCH2CH (NH2) COOH · H2O
Molecular Weight
150.13
HSN Code
29379020

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
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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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