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3-[2- (3-Hydroxypropoxy) ethoxy]propanoic acid

CAT: 0926-BZC43576-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-BZC43576-01Size:50 mg
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CAS Number
1851435-76-1
MDL Number
MFCD32667776
Smiles
C (CO) COCCOCCC (=O) O
Molecular Formula
C8H16O5
Molecular Weight
192.2 g/mol
Controlled
No

Chemical Information

3-[2-(3-Hydroxypropoxy)ethoxy]propanoic acid
CAS Number1851435-76-1
PubChem CID142834596
IUPAC Name3-[2-(3-hydroxypropoxy)ethoxy]propanoic acid
Molecular FormulaC8H16O5
Molecular Weight192.21
XLogP-0.9
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity126
SMILES
C(CO)COCCOCCC(=O)O
InChI
InChI=1S/C8H16O5/c9-3-1-4-12-6-7-13-5-2-8(10)11/h9H,1-7H2,(H,10,11)
InChIKey
BTLCQBZHSNTMEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-(3-Hydroxypropoxy)ethoxy]propanoic acid
CAS: 1851435-76-1
CID: 142834596
Formula: C8H16O5
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass192.09977361
Monoisotopic Mass192.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count13
Formal Charge0
Complexity126
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