200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1171876-52-0
1171876-52-0 | 1H-Indole-5-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1)
CAS No: 1171876-52-0 Catalog No: AG000DVB MDL No:MFCD09971545
Product Description
Catalog Number:
AG000DVB
Chemical Name:
1H-Indole-5-carboxylic acid, 2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1171876-52-0
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD09971545
IUPAC Name:
2,3-dihydro-1H-indole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c11-9(12)7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2,(H,11,12);1H
InChI Key:
WTBSYTMVLQRZGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCN2.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.