200,000+ products from a single source!
sales@angenechem.com
88498-84-4 | 9H-Xanthen-9-one, 4-bromo-3-hydroxy-2-(2-propenyl)-
CAS No: 88498-84-4 Catalog No: AG0049GO MDL No:
Product Description
Catalog Number:
AG0049GO
Chemical Name:
9H-Xanthen-9-one, 4-bromo-3-hydroxy-2-(2-propenyl)-
CAS Number:
88498-84-4
Molecular Formula:
C16H11BrO3
Molecular Weight:
331.1607
IUPAC Name:
4-bromo-3-hydroxy-2-prop-2-enylxanthen-9-one
InChI:
InChI=1S/C16H11BrO3/c1-2-5-9-8-11-15(19)10-6-3-4-7-12(10)20-16(11)13(17)14(9)18/h2-4,6-8,18H,1,5H2
InChI Key:
XEKJHPGQUHUKTO-UHFFFAOYSA-N
SMILES:
C=CCc1cc2c(c(c1O)Br)oc1c(c2=O)cccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.165g/mol
Monoisotopic Mass:
329.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.