200,000+ products from a single source!
sales@angenechem.com
149353-74-2 | 2(1H)-Isoquinolinecarboxylic acid, 7-acetyl-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 149353-74-2 Catalog No: AG001LMD MDL No:MFCD12408148
Product Description
Catalog Number:
AG001LMD
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 7-acetyl-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
149353-74-2
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD12408148
IUPAC Name:
tert-butyl 7-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-11(18)13-6-5-12-7-8-17(10-14(12)9-13)15(19)20-16(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChI Key:
XQDUJZWTJFNNGP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cc(cc2)C(=O)C)OC(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.