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Citric acid monohydrate

CAT: 0862-GK0024-5kgSize: 5 KgDry Ice: NoHazardous: No
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CAT#:0862-GK0024-5kgSize:5 Kg
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CAS Number
5949-29-1
EC Number
201-069-1
MDL Number
MFCD00149972
HS Code
29181400
Purity
99.50%
Molecular Formula
C6H8O7 · H2O
Molecular Weight
210.14
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)

Citric acid monohydrate is an organic molecular entity.

CAS Number5949-29-1
PubChem CID22230
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Molecular FormulaC6H10O8
Molecular Weight210.14
Topological Polar Surface Area133
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity227
SMILES
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
InChI
InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChIKey
YASYEJJMZJALEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
CAS: 5949-29-1
CID: 22230
Formula: C6H10O8
MW: 210.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.14
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass210.03756727
Monoisotopic Mass210.03756727
Topological Polar Surface Area133 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes