Cas no 15930-84-4 (Phosphoric acid,monomethyl mono(3-methyl-4-nitrophenyl) ester)
15930-84-4 structure
Product Name:Phosphoric acid,monomethyl mono(3-methyl-4-nitrophenyl) ester
CAS No:15930-84-4
MF:C8H10NO6P
MW:247.1418633461
CID:181820
PubChem ID:167496
Update Time:2025-04-19
Phosphoric acid,monomethyl mono(3-methyl-4-nitrophenyl) ester Chemical and Physical Properties
Names and Identifiers
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- Phosphoric acid,monomethyl mono(3-methyl-4-nitrophenyl) ester
- Demethylfenitrooxon
- Desmethylsumioxon
- DTXSID90936086
- Demethyl sumioxon
- Desmethylfenitrooxon
- methyl 3-methyl-4-nitrophenyl hydrogen phosphate
- 15930-84-4
- Phosphoric acid, monomethyl mono(4-nitro-m-tolyl) ester
- Phosphoric acid, monomethyl mono(3-methyl-4-nitrophenyl) ester
- O-methyl O-hydrogen O-(3-methyl-4-nitro-phenyl) phosphate
-
- Inchi： 1S/C8H10NO6P/c1-6-5-7(15-16(12,13)14-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,12,13)
- InChI Key： PFGNIZHUAOEYKD-UHFFFAOYSA-N
- SMILES： P(=O)(O)(OC)OC1C=CC(=C(C)C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 247.0246
- Monoisotopic Mass: 247.02457404g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 303
- 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: 1.2
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 98.9
Phosphoric acid,monomethyl mono(3-methyl-4-nitrophenyl) ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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