Triethyl citrate 1g

CAT: 0628-A17832-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A17832-1000Size:1000 mg

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CAS Number

77-93-0

Chemical Information

Triethyl Citrate

Triethyl citrate is a carbonyl compound.

CAS Number	77-93-0
PubChem CID	6506
IUPAC Name	triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular Formula	C12H20O7
Molecular Weight	276.28
XLogP	0.1
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	19
Formal Charge	0
Complexity	304

SMILES

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

InChI

InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

InChIKey

DOOTYTYQINUNNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-93-0

CID: 6506

Formula: C12H20O7

MW: 276.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.28
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	276.12090297
Monoisotopic Mass	276.12090297
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	304
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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