Cas no 18469-25-5 (Ethyl 4-methoxy-1h-pyrrole-2-carboxylate)
18469-25-5 structure
Product Name:Ethyl 4-methoxy-1h-pyrrole-2-carboxylate
CAS No:18469-25-5
MF:C8H11NO3
MW:169.177842378616
CID:907200
PubChem ID:265690
Update Time:2025-04-19
Ethyl 4-methoxy-1h-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-methoxy-1h-pyrrole-2-carboxylate
- 2-Ethoxycarbonyl-4-methoxy-pyrrol
- 4-Methoxy-pyrrol-carbonsaeure-(2)-ethylester
- 4-methoxy-pyrrole-2-carboxylic acid ethyl ester
- AC1L6EI0
- AC1Q64H2
- AG-E-34132
- AR-1I9264
- CTK4D8783
- NSC102017
- NSC-102017
- DTXSID10295445
- DS-011053
- SCHEMBL14791054
- 18469-25-5
- SB63760
-
- Inchi: 1S/C8H11NO3/c1-3-12-8(10)7-4-6(11-2)5-9-7/h4-5,9H,3H2,1-2H3
- InChI Key: KVVUVMZYKUVTRA-UHFFFAOYSA-N
- SMILES: CCOC(C1NC=C(OC)C=1)=O
Computed Properties
- Exact Mass: 168.0661
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 51.3?2
Experimental Properties
- PSA: 48.42
- LogP: 1.20000
Ethyl 4-methoxy-1h-pyrrole-2-carboxylate Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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