200,000+ products from a single source!
sales@angenechem.com
143767-55-9 | 3,3(2H)-Isoquinolinedicarboxylic acid, 2-acetyl-1,4-dihydro-, 3,3-dimethyl ester
CAS No: 143767-55-9 Catalog No: AG001IC1 MDL No:MFCD20491409
Product Description
Catalog Number:
AG001IC1
Chemical Name:
3,3(2H)-Isoquinolinedicarboxylic acid, 2-acetyl-1,4-dihydro-, 3,3-dimethyl ester
CAS Number:
143767-55-9
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
MDL Number:
MFCD20491409
IUPAC Name:
dimethyl 2-acetyl-1,4-dihydroisoquinoline-3,3-dicarboxylate
InChI:
InChI=1S/C15H17NO5/c1-10(17)16-9-12-7-5-4-6-11(12)8-15(16,13(18)20-2)14(19)21-3/h4-7H,8-9H2,1-3H3
InChI Key:
NXSLBAAENZSPFI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(Cc2ccccc2CN1C(=O)C)C(=O)OC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.