Trimethyl citrate

CAT: 0024-sc-229587Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229587Size:5 g

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CAS Number

1587-20-8

Chemical Information

Trimethyl citrate

trimethyl citrate has been reported in Lonicera caerulea, Prunus mume, and other organisms with data available.

CAS Number	1587-20-8
PubChem CID	74112
IUPAC Name	trimethyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular Formula	C9H14O7
Molecular Weight	234.20
XLogP	-1
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	266

SMILES

COC(=O)CC(CC(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3

InChIKey

HDDLVZWGOPWKFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1587-20-8

CID: 74112

Formula: C9H14O7

MW: 234.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.20
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	234.07395278
Monoisotopic Mass	234.07395278
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	266
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

Catalog	Name
JH640313	Trimethyl citrate
MBS653895-01	Citrate Synthase (Citrate Condensing Enzyme, Citrate Oxaloacetate Lyase)
290636-01	Tofacitinib Citrate (CP-690550 Citrate)
MBS6025278-01	CP-690550 Citrate (Tofacitinib Citrate)
YLA3901HU-01	Human citrate (citrate) ELISA Kit
C5700-01-01	Citrate Synthase (Citrate Condensing Enzyme, Citrate Oxaloacetate Lyase) discontinued
820007	TRIMETHYL BROMO SILANE (TRIMETHYL SILYL BROMIDE)
FT60564-01	Trimethyl orthoformate
FT45514-01	Trimethyl orthoacetate
RG-A261584-01	Trimethyl Borate