Cas no 29169-63-9 (Benzeneacetic acid, a-(formyloxy)-, (aR)-)
29169-63-9 structure
Product Name:Benzeneacetic acid, a-(formyloxy)-, (aR)-
Benzeneacetic acid, a-(formyloxy)-, (aR)- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-(formyloxy)-, (aR)-
- (R)-(Formyloxy)phenylacetic acid
- (formyloxy)(phenyl)acetic acid
- 29169-63-9
- EINECS 249-477-9
- 2-formyloxy-2-phenylacetic acid
- SCHEMBL3036253
- DTXSID00951765
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- Inchi： 1S/C9H8O4/c10-6-13-8(9(11)12)7-4-2-1-3-5-7/h1-6,8H,(H,11,12)
- InChI Key： YFRDJVJDAXMXSQ-UHFFFAOYSA-N
- SMILES： O(C=O)C(C(=O)O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 184
- 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
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.307
- Boiling Point: 305.9°Cat760mmHg
- Flash Point: 123.7°C
- Refractive Index: 1.55
- PSA: 63.6
Benzeneacetic acid, a-(formyloxy)-, (aR)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
29169-63-9 (Benzeneacetic acid, a-(formyloxy)-, (aR)-) Related Products
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