Cas no 872971-82-9 (1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI))
872971-82-9 structure
Product Name:1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI)
CAS No:872971-82-9
MF:C10H11NO2
MW:177.199842691422
CID:719510
PubChem ID:45123081
Update Time:2025-04-19
1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI)
- 872971-82-9
- 1H-Azonine-1-carboxylic acid,methyl ester,(2Z,4Z,6Z,8Z)-(9ci)
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- Inchi： 1S/C10H11NO2/c1-13-10(12)11-8-6-4-2-3-5-7-9-11/h2-9H,1H3/b4-2-,5-3-,8-6-,9-7-
- InChI Key： QEOVTPTVTZHMHD-KMHXQRNQSA-N
- SMILES： O(C)C(N1C=CC=CC=CC=C1)=O |c:4,6,8,10|
Computed Properties
- Exact Mass: 177.079
- Monoisotopic Mass: 177.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 149
- 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
- Topological Polar Surface Area: 31.2A^2
- XLogP3: 2.2
1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
872971-82-9 (1H-Azonine-1-carboxylic acid, methyl ester, (2Z,4Z,6Z,8Z)- (9CI)) Related Products
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