Cas no 5953-65-1 ( )
structure
Product Name:
CAS No:5953-65-1
MF:C19H28N2O2
MW:316.437825202942
CID:950282
PubChem ID:6044500
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-ene-3,17-dione dioxime
- Androstanolon-propionat
- NSC-137006
- Androst-4-ene-3, dioxime
- NSC137006
- 5953-65-1
-
-
- Inchi： 1S/C19H28N2O2/c1-18-9-7-13(20-22)11-12(18)3-4-14-15-5-6-17(21-23)19(15,2)10-8-16(14)18/h11,14-16,22-23H,3-10H2,1-2H3/b20-13+,21-17-
- InChI Key： HDKWUWWSIDAZMQ-QBWZCQBYSA-N
- SMILES： O/N=C1/CCC2C/1(C)CCC1C3(C)CC/C(/C=C3CCC12)=N\O
Computed Properties
- Exact Mass: 316.21500
- Monoisotopic Mass: 316.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 609
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 65.2?2
Experimental Properties
- PSA: 65.18000
- LogP: 4.60960
Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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