CID 91820066
PubChem CID
91820066
Structure
Molecular Formula
Status
Non-live
Molecular Weight
349.22 g/mol
Dates
- Create:2015-07-17
Chemical Structure Depiction
(Z)-2-[(Z)-2-(5-carboxy-3-methoxy-2-oxidophenyl)-2-oxidoethenyl]-5-hydroxy-4,5-dioxopent-2-enoate
InChI=1S/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,16,18H,1H3,(H,19,20)(H,21,22)(H,23,24)/p-3/b7-4-,9-3-
CUUFYGWFLLRXDL-MHXLKONPSA-K
COC1=CC(=CC(=C1[O-])/C(=C/C(=C/C(=O)C(=O)O)/C(=O)[O-])/[O-])C(=O)O
C15H9O10-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
349.22 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
349.01957148 g/mol
Property Name
Monoisotopic Mass
Property Value
349.01957148 g/mol
Property Name
Topological Polar Surface Area
Property Value
187 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
627
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
0
Property Name
Defined Bond Stereocenter Count
Property Value
2
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS