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130688-31-2 | 4-Isoquinolinecarboxylic acid, 3-amino-5,6,7,8-tetrahydro-
CAS No: 130688-31-2 Catalog No: AG000UTH MDL No:MFCD01717449
Product Description
Catalog Number:
AG000UTH
Chemical Name:
4-Isoquinolinecarboxylic acid, 3-amino-5,6,7,8-tetrahydro-
CAS Number:
130688-31-2
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD01717449
IUPAC Name:
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h5H,1-4H2,(H2,11,12)(H,13,14)
InChI Key:
VZRCUHMQWPZOEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ncc2c1CCCC2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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