Cas no 87941-69-3 (Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-)
87941-69-3 structure
Product Name:Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-
CAS No:87941-69-3
MF:C14H12O4
MW:244.242684364319
CID:650504
PubChem ID:70428458
Update Time:2025-04-19
Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-
- 3-benzyl-2,4-dihydroxybenzoic acid
- SCHEMBL10721869
- DTXSID60741962
- 87941-69-3
-
- Inchi： 1S/C14H12O4/c15-12-7-6-10(14(17)18)13(16)11(12)8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
- InChI Key： OEUKLGGHRHDBEX-UHFFFAOYSA-N
- SMILES： OC1C(C(=O)O)=CC=C(C=1CC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 244.07355886g/mol
- Monoisotopic Mass: 244.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 286
- 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: 3.2
- Topological Polar Surface Area: 77.8?2
Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
87941-69-3 (Benzoic acid, 2,4-dihydroxy-3-(phenylmethyl)-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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