200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 180918-46-1
180918-46-1 | 1,4-Naphthalenedione, 2-(2,2-dimethylpropyl)-3-hydroxy-
CAS No: 180918-46-1 Catalog No: AG0022HD MDL No:
Product Description
Catalog Number:
AG0022HD
Chemical Name:
1,4-Naphthalenedione, 2-(2,2-dimethylpropyl)-3-hydroxy-
CAS Number:
180918-46-1
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
3-(2,2-dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C15H16O3/c1-15(2,3)8-11-12(16)9-6-4-5-7-10(9)13(17)14(11)18/h4-7,16H,8H2,1-3H3
InChI Key:
FYVVSZCOMPTNGX-UHFFFAOYSA-N
SMILES:
OC1=C(CC(C)(C)C)C(=O)c2c(C1=O)cccc2
NSC Number:
102531
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.