(S)-(-)-Indoline-2-carboxylic acid - CAS 79815-20-6
Catalog: |
BB063920 |
Product Name: |
(S)-(-)-Indoline-2-carboxylic acid |
CAS: |
79815-20-6 |
Synonyms: |
(S)-(-)-Indoline-2-carboxylic acid; (S)-Indoline-2-carboxylic acid; (2S)-2,3-dihydro-1H-indole-2-carboxylic acid; (s)-2,3-dihydro-1h-indole-2-carboxylic acid; h-idc-oh; L-Indoline-2-carboxylic acid; s-(-)-indoline-2-carboxylic acid; (S)-(-)-indoline-2-carboxylicacid |
IUPAC Name: | (2S)-2,3-dihydro-1H-indole-2-carboxylic acid |
Description: | (S)-(-)-Indoline-2-carboxylic acid |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1C(NC2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1 |
InChI Key: | QNRXNRGSOJZINA-QMMMGPOBSA-N |
Solubility: | 6.6 ug/ml |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P313, P362+P364, P405, and P501 |
Signal Word: | Warning |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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