Home Carboxys Methyl isoindoline-4-carboxylate hcl

Methyl isoindoline-4-carboxylate hcl

CAS No.:
127168-90-5
Catalog Number:
AG000WQ7
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$712
- +
5g
97%
1 week
United States
$1655
- +
Product Description
Catalog Number:
AG000WQ7
Chemical Name:
Methyl isoindoline-4-carboxylate hcl
CAS Number:
127168-90-5
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD10700133
IUPAC Name:
methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
InChI Key:
ZEOILCADGXBXQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1CNC2.Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties