CAS:1201-26-9 / 1-(1H-indol-3-yl)propan-2-one--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 1201-26-9
1-(1H-indol-3-yl)propan-2-one

Structure
Name: 1-(1H-indol-3-yl)propan-2-one
Synonyms:

General Information

Product Number: 1201269

CAS Registry Number: 1201-26-9

Name:

2-Propanone, 1-(1H-indol-3-yl)-

2-Propanone, 1-indol-3-yl- (8CI); 2-Propanone, indol-3-yl- (6CI,7CI); (1H-Indol-3-yl)acetone; 1-(1H-Indol-3-yl)propan-2-one; 3-(2-Oxopropyl)indole; 3-Acetonylindole; 3-Indolylacetone; Indol-3-yl-2-propanone; Indole-3-acetone; NSC 100751

Chemical Formula: C11H11NO

Exact Mass: 173.08

Molecular Weight: 173.21

m/z: 173.08 (100.0%), 174.09 (12.1%)

Elemental Analysis: C, 76.28; H, 6.40; N, 8.09; O, 9.24

InChI: InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3

InChIKey: LDVHYJKRIKBISQ-UHFFFAOYSA-N

Canonical SMILES : CC(=O)CC1=CNC2=CC=CC=C21

Thermal Properties	Value	Note
Melting Point	118-119 °C	(5)IC
Melting Point	116 °C	(7)SRC
Melting Point	115-117.5 °C	(8)CAS
Melting Point	110-113 °C	(9)CAS
Melting Point	104-106 °C	(4)CAS

Specification

98%

References

(1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(4) Pradhan, Prasun K.; Synthetic Communications 2005, V35(7), P913-922 CAPLUS
(5) Nichols, David E.; Journal of Medicinal Chemistry 1988, V31(7), P1406-12 CAPLUS
(6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(7) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
(8) Brown, J. B.; Journal of the Chemical Society 1952, P3172-6 CAPLUS
(9) Morris, Douglas S.; GB 974895 1964 CAPLUS

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