Home Carboxys 5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid

5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:
26862-56-6
Catalog Number:
AG01ABM5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG01ABM5
Chemical Name:
5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid
CAS Number:
26862-56-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD11870039
IUPAC Name:
5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h5-6H,1-4H2,(H,12,13)
InChI Key:
QVRRFSGTYXPKNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)CCCC2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties