200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113590-11-7
113590-11-7 | 1,4-Benzenediol, 2-(2-isocyanoethenyl)-
CAS No: 113590-11-7 Catalog No: AG00092Q MDL No:
Product Description
Catalog Number:
AG00092Q
Chemical Name:
1,4-Benzenediol, 2-(2-isocyanoethenyl)-
CAS Number:
113590-11-7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
2-(2-isocyanoethenyl)benzene-1,4-diol
InChI:
InChI=1S/C9H7NO2/c1-10-5-4-7-6-8(11)2-3-9(7)12/h2-6,11-12H
InChI Key:
ABVUUDRCDTZFOJ-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C=Cc1cc(O)ccc1O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.