200,000+ products from a single source!
sales@angenechem.com
80687-08-7 | 6(2h)-isoquinolone
CAS No: 80687-08-7 Catalog No: AG008M5V MDL No:
Product Description
Catalog Number:
AG008M5V
Chemical Name:
6(2h)-isoquinolone
CAS Number:
80687-08-7
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C7H12ClN3O5/c1-4(12)5(6(13)14)9-7(15)11(10-16)3-2-8/h4-5,12H,2-3H2,1H3,(H,9,15)(H,13,14)
InChI Key:
UFEWHGLVHGVTFY-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c1)cc[nH]c2
NSC Number:
356558
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.639g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
© 2019 Angene International Limited. All rights Reserved.