sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(isoquinolin-4-yl)-2-methylpropanoic acid hydrochloride

3-(isoquinolin-4-yl)-2-methylpropanoic acid hydrochloride

CAS No.:
1803595-21-2
Catalog Number:
AG01BBA5
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBA5
Chemical Name:
3-(isoquinolin-4-yl)-2-methylpropanoic acid hydrochloride
CAS Number:
1803595-21-2
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
MDL Number:
MFCD28505929
IUPAC Name:
3-isoquinolin-4-yl-2-methylpropanoic acid;hydrochloride
InChI:
InChI=1S/C13H13NO2.ClH/c1-9(13(15)16)6-11-8-14-7-10-4-2-3-5-12(10)11;/h2-5,7-9H,6H2,1H3,(H,15,16);1H
InChI Key:
DYCBOAOKUZQUTI-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cncc2c1cccc2)C.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties