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CID 17918169

PubChem CID
17918169
Structure
CID 17918169_small.png
Molecular Formula
Status
Non-live
Molecular Weight
264.23 g/mol
Dates
  • Create:
    2007-12-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 17918169.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxypropyl 2-methylprop-2-enoate;propanedioic acid

2.1.2 InChI

InChI=1S/C7H12O4.C3H4O4/c1-5(2)7(10)11-4-6(9)3-8;4-2(5)1-3(6)7/h6,8-9H,1,3-4H2,2H3;1H2,(H,4,5)(H,6,7)

2.1.3 InChIKey

WBPWALJQDWNMBH-UHFFFAOYSA-N

2.1.4 SMILES

CC(=C)C(=O)OCC(CO)O.C(C(=O)O)C(=O)O

2.2 Molecular Formula

C10H16O8

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
264.23 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
264.08451746 g/mol
Property Name
Monoisotopic Mass
Property Value
264.08451746 g/mol
Property Name
Topological Polar Surface Area
Property Value
141 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
236
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS