Home Carboxys 1H-Isoindole-1-carboxylic acid, 2,3-dihydro-,hydrochloride (1:1), (1S)-

1H-Isoindole-1-carboxylic acid, 2,3-dihydro-,hydrochloride (1:1), (1S)-

CAS No.:
1965314-73-1
Catalog Number:
AG003AVB
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
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Product Description
Catalog Number:
AG003AVB
Chemical Name:
1H-Isoindole-1-carboxylic acid, 2,3-dihydro-,hydrochloride (1:1), (1S)-
CAS Number:
1965314-73-1
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD28098115
IUPAC Name:
(1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c11-9(12)8-7-4-2-1-3-6(7)5-10-8;/h1-4,8,10H,5H2,(H,11,12);1H/t8-;/m0./s1
InChI Key:
KPMLOVZNYPOQII-QRPNPIFTSA-N
SMILES:
OC(=O)[C@H]1NCc2c1cccc2.Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties