Cas no 30378-23-5 (Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester)
30378-23-5 structure
Product Name:Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester
CAS No:30378-23-5
MF:C9H12N2O2
MW:180.203782081604
CID:1442211
PubChem ID:14568320
Update Time:2025-04-20
Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester
- ethyl 2,4-dicyano-2-methylbutanoate
- 30378-23-5
- SCHEMBL11566033
- DTXSID70561734
-
- Inchi： 1S/C9H12N2O2/c1-3-13-8(12)9(2,7-11)5-4-6-10/h3-5H2,1-2H3
- InChI Key： SZOSZJGIWPIBEX-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)(C)CCC#N)=O
Computed Properties
- Exact Mass: 180.08996
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 73.9?2
Experimental Properties
- PSA: 73.88
Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
30378-23-5 (Butanoic acid, 2,4-dicyano-2-methyl-, ethyl ester) Related Products
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- 28247-14-5(ethyl 1-cyanocyclopentane-1-carboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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