200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 85620-39-9
85620-39-9 | Spiro[4.5]deca-2,6-dien-1-one, 3,6-dimethyl-
CAS No: 85620-39-9 Catalog No: AG00510H MDL No:
Product Description
Catalog Number:
AG00510H
Chemical Name:
Spiro[4.5]deca-2,6-dien-1-one, 3,6-dimethyl-
CAS Number:
85620-39-9
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2,10-dimethylspiro[4.5]deca-2,9-dien-4-one
InChI:
InChI=1S/C12H16O/c1-9-7-11(13)12(8-9)6-4-3-5-10(12)2/h5,7H,3-4,6,8H2,1-2H3
InChI Key:
ZKTJTVJHZUTEJT-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C2(C1)CCCC=C2C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.