200,000+ products from a single source!
sales@angenechem.com
129995-14-8 | 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentyn-1-yl)-
CAS No: 129995-14-8 Catalog No: AG000TUB MDL No:
Product Description
Catalog Number:
AG000TUB
Chemical Name:
9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentyn-1-yl)-
CAS Number:
129995-14-8
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
IUPAC Name:
1-amino-2-(4,4-dimethyl-3-oxopent-1-ynyl)anthracene-9,10-dione
InChI:
InChI=1S/C21H17NO3/c1-21(2,3)16(23)11-9-12-8-10-15-17(18(12)22)20(25)14-7-5-4-6-13(14)19(15)24/h4-8,10H,22H2,1-3H3
InChI Key:
ZXQAYVWEYFIIMK-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C#Cc1ccc2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.2A^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.