Product Number: 19806178
CAS Registry Number: 19806-17-8
Name:
1,3-Benzenediacetic acid
m-Benzenediacetic acid (6CI,7CI,8CI); (3-Carboxymethylphenyl)acetic acid; 1,3-Phenylenediacetic acid; 2,2'-(1,3-Phenylene)diacetic acid; NSC 75867; m-Phenylenediacetic acid
Chemical Formula: C10H10O4
Exact Mass: 194.06
Molecular Weight: 194.18
m/z: 194.06 (100.0%), 195.06 (11.1%), 196.06 (1.3%)
InChI: InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey: GDYYIJNDPMFMTB-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC(=C1)CC(=O)O)CC(=O)O
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
171.5-172 °C |
|
(5)CAS |
| Melting Point |
166-169 °C |
|
(6)CAS |
|
- (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
- (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
- (3) Goekce, Halil; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 2011, V78A(2), P803-808 CAPLUS
- (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (5) Schwenk, Erwin; Journal of Organic Chemistry 1946, V11, P798-802 CAPLUS
- (6) Khcheyan, Kh. E.; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation) 1962, V35, P206-9 CAPLUS
- (7) Gu, Jin-Zhong; Journal of Solid State Chemistry 2011, V184(3), P675-683 CAPLUS
- (8) Yang, Guo-Ping; CrystEngComm 2011, V13(1), P33-35 CAPLUS
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