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Home Carboxys D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid

D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid

CAS No.:
72002-54-1
Catalog Number:
AG0060CE
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$111
- +
5g
≥ 98% (HPLC)
1 week
United States
$338
- +
25g
≥ 98% (HPLC)
1 week
United States
$1273
- +
Product Description
Catalog Number:
AG0060CE
Chemical Name:
D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CAS Number:
72002-54-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD04117830
IUPAC Name:
(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
InChI Key:
FSNCEEGOMTYXKY-SNVBAGLBSA-N
SMILES:
OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Design, synthesis, and biological evaluation of callophycin A and analogues as potential chemopreventive and anticancer agents. Bioorganic & medicinal chemistry 20111101
Properties