Cas no 143225-28-9 (Butanedioic acid,methyl-, 1-(phenylmethyl) ester, (2R)- (9CI))
143225-28-9 structure
Product Name:Butanedioic acid,methyl-, 1-(phenylmethyl) ester, (2R)- (9CI)
CAS No:143225-28-9
MF:C12H14O4
MW:222.237164020538
CID:108240
PubChem ID:22874426
Update Time:2025-04-18
Butanedioic acid,methyl-, 1-(phenylmethyl) ester, (2R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,methyl-, 1-(phenylmethyl) ester, (2R)- (9CI)
- (3R)-4-(Benzyloxy)-3-methyl-4-oxobutanoic acid
- (2R)-Methylbutanedioic acid 1-(phenylmethyl) ester
- (3R)-3-Methyl-4-oxo-4-phenylmethoxybutanoic acid
- 143225-28-9
- Butanedioic acid, methyl-, 1-(phenylmethyl) ester, (2R)- (9CI)
- SCHEMBL4890728
-
- Inchi： 1S/C12H14O4/c1-9(7-11(13)14)12(15)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
- InChI Key： RARNEZUOCRRMPW-SECBINFHSA-N
- SMILES： O(CC1C=CC=CC=1)C([C@H](C)CC(=O)O)=O
Computed Properties
- Exact Mass: 221.08139
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 243
- 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: 1.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.189
- PSA: 66.43
Butanedioic acid,methyl-, 1-(phenylmethyl) ester, (2R)- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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