Cas no 23102-02-5 (Pentanoic acid,4-methyl-4-nitro-, ethyl ester)
23102-02-5 structure
Product Name:Pentanoic acid,4-methyl-4-nitro-, ethyl ester
CAS No:23102-02-5
MF:C6H11NO4
MW:161.155842065811
CID:267789
PubChem ID:31644
Update Time:2025-04-19
Pentanoic acid,4-methyl-4-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,4-methyl-4-nitro-, ethyl ester
- 4-METHYL-4-NITROPENTANOIC ACID
- MFCD11168308
- AKOS005174997
- SCHEMBL44822
- NSC-403227
- NSC-49604
- NSC403227
- 4-METHYL-4-NITROPENTANOICACID
- DTXSID10177671
- CS-0308960
- 32827-16-0
- EN300-144293
- KHKJLJHJTQRHSA-UHFFFAOYSA-N
- LS-04771
- NSC49604
- 23102-02-5
-
- Inchi： 1S/C6H11NO4/c1-6(2,7(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
- InChI Key： KHKJLJHJTQRHSA-UHFFFAOYSA-N
- SMILES： [O-][N+](C(C)(C)CCC(=O)O)=O
Computed Properties
- Exact Mass: 161.06880783g/mol
- Monoisotopic Mass: 161.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 0.5
- Topological Polar Surface Area: 83.1?2
Pentanoic acid,4-methyl-4-nitro-, ethyl ester Related Literature
-
1. Nitroalkanes as nucleophiles in a self-catalytic Michael reactionHenryk Krawczyk,Wojciech M. Wolf,Marcin ?liwiński J. Chem. Soc. Perkin Trans. 1 2002 2794
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