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211238-85-6

211238-85-6 | Propanoic acid, 2-hydroxy-, 3,7-dimethyl-6-octen-1-yl ester, (2R)-

CAS No: 211238-85-6 Catalog No: AG002L84 MDL No:

Product Description

Catalog Number:
AG002L84
Chemical Name:
Propanoic acid, 2-hydroxy-, 3,7-dimethyl-6-octen-1-yl ester, (2R)-
CAS Number:
211238-85-6
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
3,7-dimethyloct-6-enyl (2R)-2-hydroxypropanoate
InChI:
InChI=1S/C13H24O3/c1-10(2)6-5-7-11(3)8-9-16-13(15)12(4)14/h6,11-12,14H,5,7-9H2,1-4H3/t11?,12-/m1/s1
InChI Key:
YTDFICAIKNPZRO-PIJUOVFKSA-N
SMILES:
CC(CCC=C(C)C)CCOC(=O)[C@H](O)C
EC Number:
444-980-1

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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