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41519-23-7

41519-23-7 | (Z);-Hex-3-en-1-yl isobutyrate

CAS No: 41519-23-7 Catalog No: AG003OYO MDL No:MFCD00036529

Product Description

Catalog Number:
AG003OYO
Chemical Name:
(Z);-Hex-3-en-1-yl isobutyrate
CAS Number:
41519-23-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00036529
IUPAC Name:
[(Z)-hex-3-enyl] 2-methylpropanoate
InChI:
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChI Key:
OSMAJVWUIUORGC-WAYWQWQTSA-N
SMILES:
CC/C=C\CCOC(=O)C(C)C
UNII:
R84N0RD251
FEMA Number:
3929

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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