200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89676-51-7
89676-51-7 | 1,4-Naphthalenedione, 2,3-bis(hydroxymethyl)-
CAS No: 89676-51-7 Catalog No: AG0042YE MDL No:
Product Description
Catalog Number:
AG0042YE
Chemical Name:
1,4-Naphthalenedione, 2,3-bis(hydroxymethyl)-
CAS Number:
89676-51-7
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
2,3-bis(hydroxymethyl)naphthalene-1,4-dione
InChI:
InChI=1S/C12H10O4/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,13-14H,5-6H2
InChI Key:
ZTBYCTDKWKFFHP-UHFFFAOYSA-N
SMILES:
OCC1=C(CO)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.