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99769-56-9 | 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl acetate
CAS No: 99769-56-9 Catalog No: AG003WGZ MDL No:
Product Description
Catalog Number:
AG003WGZ
Chemical Name:
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl acetate
CAS Number:
99769-56-9
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
InChI:
InChI=1S/C12H18O4/c1-9-2-4-10(5-3-9)8-16-12(15)7-6-11(13)14/h10H,1-8H2,(H,13,14)
InChI Key:
AGRYPKJDKAJCRL-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C=CC1C(=CCCC1(C)C)C)C
EC Number:
309-033-8
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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