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130798-49-1 | 1H-Indole-3-propanoic acid, 2-carboxy-4-chloro-
CAS No: 130798-49-1 Catalog No: AG000UY4 MDL No:
Product Description
Catalog Number:
AG000UY4
Chemical Name:
1H-Indole-3-propanoic acid, 2-carboxy-4-chloro-
CAS Number:
130798-49-1
Molecular Formula:
C12H10ClNO4
Molecular Weight:
267.6651
IUPAC Name:
3-(2-carboxyethyl)-4-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H10ClNO4/c13-7-2-1-3-8-10(7)6(4-5-9(15)16)11(14-8)12(17)18/h1-3,14H,4-5H2,(H,15,16)(H,17,18)
InChI Key:
SSLBZYLQLVRPAQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c([nH]c2c1c(Cl)ccc2)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.665g/mol
Monoisotopic Mass:
267.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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