200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 84930-10-9
84930-10-9 | 1-(3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-EN-2-YL)-2-BUTEN-1-ONE
CAS No: 84930-10-9 Catalog No: AG004VBW MDL No:
Product Description
Catalog Number:
AG004VBW
Chemical Name:
1-(3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-EN-2-YL)-2-BUTEN-1-ONE
CAS Number:
84930-10-9
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
(E)-1-(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)but-2-en-1-one
InChI:
InChI=1S/C14H20O/c1-5-6-11(15)12-9(2)7-8-10-13(12)14(10,3)4/h5-7,10,12-13H,8H2,1-4H3/b6-5+
InChI Key:
ABLGZAJOVGRAJX-AATRIKPKSA-N
SMILES:
CC=CC(=O)C1C(=CCC2C1C2(C)C)C
EC Number:
284-590-7
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
© 2019 Angene International Limited. All rights Reserved.