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Home > Other Heterocycles > 79718-73-3
79718-73-3 | 3-Buten-2-one, 4-(2,4,4-trimethylbicyclo[4.1.0]hept-2-en-3-yl)-, (E)-
CAS No: 79718-73-3 Catalog No: AG005HHT MDL No:
Product Description
Catalog Number:
AG005HHT
Chemical Name:
3-Buten-2-one, 4-(2,4,4-trimethylbicyclo[4.1.0]hept-2-en-3-yl)-, (E)-
CAS Number:
79718-73-3
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
4-(2,4,4-trimethyl-3-bicyclo[4.1.0]hept-2-enyl)but-3-en-2-one
InChI:
InChI=1S/C14H20O/c1-9(15)5-6-13-10(2)12-7-11(12)8-14(13,3)4/h5-6,11-12H,7-8H2,1-4H3
InChI Key:
HGBOMBNSPKXNSA-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/C1=C(C)C2CC2CC1(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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