Cas no 1313617-57-0 ((3-Carbamoyl-5-methylphenyl)boronic acid)
1313617-57-0 structure
Product Name:(3-Carbamoyl-5-methylphenyl)boronic acid
CAS No:1313617-57-0
MF:C8H10BNO3
MW:178.980902194977
CID:2770188
PubChem ID:57416397
Update Time:2025-04-21
(3-Carbamoyl-5-methylphenyl)boronic acid Chemical and Physical Properties
Names and Identifiers
-
- 1313617-57-0
- DTXSID20726073
- (3-Carbamoyl-5-methylphenyl)boronic acid
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- Inchi： 1S/C8H10BNO3/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4,12-13H,1H3,(H2,10,11)
- InChI Key： UVOUXIWPGNNCPI-UHFFFAOYSA-N
- SMILES： OB(C1C=C(C(N)=O)C=C(C)C=1)O
Computed Properties
- Exact Mass: 179.0753733Da
- Monoisotopic Mass: 179.0753733Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- 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
- Topological Polar Surface Area: 83.6?2
(3-Carbamoyl-5-methylphenyl)boronic acid Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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