200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100008-36-4
100008-36-4 | Cyclohexanone, 6-(3,4-dihydro-1H-2-benzopyran-1-yl)-2,2-dimethyl-
CAS No: 100008-36-4 Catalog No: AG00009R MDL No:
Product Description
Catalog Number:
AG00009R
Chemical Name:
Cyclohexanone, 6-(3,4-dihydro-1H-2-benzopyran-1-yl)-2,2-dimethyl-
CAS Number:
100008-36-4
Molecular Formula:
C17H22O2
Molecular Weight:
258.3554
IUPAC Name:
6-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylcyclohexan-1-one
InChI:
InChI=1S/C17H22O2/c1-17(2)10-5-8-14(16(17)18)15-13-7-4-3-6-12(13)9-11-19-15/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChI Key:
REKADPRINAKOTC-UHFFFAOYSA-N
SMILES:
O=C1C(CCCC1(C)C)C1OCCc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.361g/mol
Monoisotopic Mass:
258.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.