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74912-37-1 | 4-Hexen-1-ol,5-methyl-2-(1-methylethyl)-, 1-acetate
CAS No: 74912-37-1 Catalog No: AG00588D MDL No:
Product Description
Catalog Number:
AG00588D
Chemical Name:
4-Hexen-1-ol,5-methyl-2-(1-methylethyl)-, 1-acetate
CAS Number:
74912-37-1
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
(5-methyl-2-propan-2-ylhex-4-enyl) acetate
InChI:
InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,10,12H,7-8H2,1-5H3
InChI Key:
JMTJOEMOBHPDMW-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(C(C)C)CC=C(C)C
EC Number:
278-019-0
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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