200,000+ products from a single source!
sales@angenechem.com
115238-58-9 | 3-Isoquinolinecarboxylic acid, decahydro-, (3S,4aS,8aS)-
CAS No: 115238-58-9 Catalog No: AG000GHV MDL No:
Product Description
Catalog Number:
AG000GHV
Chemical Name:
3-Isoquinolinecarboxylic acid, decahydro-, (3S,4aS,8aS)-
CAS Number:
115238-58-9
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H17NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h7-9,11H,1-6H2,(H,12,13)/t7-,8+,9-/m0/s1
InChI Key:
NSENYWQRQUNUGD-YIZRAAEISA-N
SMILES:
OC(=O)[C@H]1NC[C@@H]2[C@H](C1)CCCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.