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84060-80-0 | (Z,Z)-3-Hexenyl 2-methyl-2-butenoate
CAS No: 84060-80-0 Catalog No: AG004Q3B MDL No:
Product Description
Catalog Number:
AG004Q3B
Chemical Name:
(Z,Z)-3-Hexenyl 2-methyl-2-butenoate
CAS Number:
84060-80-0
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
InChI:
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5-
InChI Key:
JNWQKXUWZWKUAY-BHHIIOOYSA-N
SMILES:
CC/C=C\CCOC(=O)/C(=C\C)/C
FEMA Number:
3931
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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