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Home Carboxys 2-Formyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

2-Formyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:
61047-23-2
Catalog Number:
AG00EC1S
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00EC1S
Chemical Name:
2-Formyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS Number:
61047-23-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD07475606
IUPAC Name:
2-formyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c13-7-12-6-9-4-2-1-3-8(9)5-10(12)11(14)15/h1-4,7,10H,5-6H2,(H,14,15)
InChI Key:
MHRNGQVWZRPUJI-UHFFFAOYSA-N
SMILES:
O=CN1Cc2ccccc2CC1C(=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties