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88146-83-2 | Butanoic acid, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethyl ester
CAS No: 88146-83-2 Catalog No: AG004GCL MDL No:
Product Description
Catalog Number:
AG004GCL
Chemical Name:
Butanoic acid, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethyl ester
CAS Number:
88146-83-2
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethyl butanoate
InChI:
InChI=1S/C16H26O2/c1-6-7-15(17)18-11(3)12-9-14-13(8-10(12)2)16(14,4)5/h8,11-14H,6-7,9H2,1-5H3
InChI Key:
JGLGBDSYEACQEK-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC(C1CC2C(C=C1C)C2(C)C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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