Cas no 98049-02-6 ()
structure
Product Name:
CAS No:98049-02-6
MF:C4H10NO3P
MW:151.100862026215
CID:6773535
PubChem ID:53355435
Update Time:2024-03-04
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C4H10NO3P/c6-9(7,8)4-2-1-3-5-4/h4-5H,1-3H2,(H2,6,7,8)/t4-/m1/s1
- InChI Key： BTURSMUPRYMLJE-SCSAIBSYSA-N
- SMILES： P([C@@H]1CCCN1)(=O)(O)O
Computed Properties
- Exact Mass: 151.03983018g/mol
- Monoisotopic Mass: 151.03983018g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.7
- Topological Polar Surface Area: 69.6?2
Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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