Cas no 453565-57-6 (BENZENECARBOXIMIDAMIDE, 3-CYANO-N-HYDROXY-5-METHYL-)
453565-57-6 structure
Product Name:BENZENECARBOXIMIDAMIDE, 3-CYANO-N-HYDROXY-5-METHYL-
CAS No:453565-57-6
MF:C9H9N3O
MW:175.187261343002
CID:3375530
PubChem ID:73855272
Update Time:2025-04-21
BENZENECARBOXIMIDAMIDE, 3-CYANO-N-HYDROXY-5-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- BENZENECARBOXIMIDAMIDE, 3-CYANO-N-HYDROXY-5-METHYL-
- DTXSID201238977
- 3-Cyano-N-hydroxy-5-methylbenzenecarboximidamide
- SCHEMBL5223633
- 453565-57-6
-
- Inchi： 1S/C9H9N3O/c1-6-2-7(5-10)4-8(3-6)9(11)12-13/h2-4,13H,1H3,(H2,11,12)
- InChI Key： NQMASZUGDMBJCV-UHFFFAOYSA-N
- SMILES： C1(C(NO)=N)=CC(C)=CC(C#N)=C1
Computed Properties
- Exact Mass: 175.074561919Da
- Monoisotopic Mass: 175.074561919Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 82.4?2
BENZENECARBOXIMIDAMIDE, 3-CYANO-N-HYDROXY-5-METHYL- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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