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128940-64-7

128940-64-7 | 6-Octenoic acid, 3-hydroxy-

CAS No: 128940-64-7 Catalog No: AG000YP1 MDL No:

Product Description

Catalog Number:
AG000YP1
Chemical Name:
6-Octenoic acid, 3-hydroxy-
CAS Number:
128940-64-7
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
3-hydroxyoct-6-enoic acid
InChI:
InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-3,7,9H,4-6H2,1H3,(H,10,11)
InChI Key:
UYHGBTRCKCDOGE-UHFFFAOYSA-N
SMILES:
CC=CCCC(CC(=O)O)O

Properties

Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  

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