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114320-64-8 | Dodecadienedioic acid, 3-hydroxy- (9CI)
CAS No: 114320-64-8 Catalog No: AG000B2M MDL No:
Product Description
Catalog Number:
AG000B2M
Chemical Name:
Dodecadienedioic acid, 3-hydroxy- (9CI)
CAS Number:
114320-64-8
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
3-hydroxydodeca-2,4-dienedioic acid
InChI:
InChI=1S/C12H18O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h5,7,9,13H,1-4,6,8H2,(H,14,15)(H,16,17)
InChI Key:
RUISWTGWXMFDRQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC=CC(=CC(=O)O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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