Cas no 129776-60-9 (Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)-)
129776-60-9 structure
Product Name:Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)-
CAS No:129776-60-9
MF:C15H20O4
MW:264.316905021667
CID:1224990
PubChem ID:22874407
Update Time:2025-04-20
Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)-
- SCHEMBL7355706
- benzyl (2R)-2-(carboxymethyl)-4-methylvalerate
- CFMRKUYJARYXBX-CYBMUJFWSA-N
- 129776-60-9
- (3R)-3-[(BENZYLOXY)CARBONYL]-5-METHYLHEXANOIC ACID
- Benzyl(2R)-2-carboxymethyl-4-methylvalerate
- Benzyl (2R)-2-carboxymethyl-4-methylvalerate
-
- MDL： MFCD11847750
- Inchi： 1S/C15H20O4/c1-11(2)8-13(9-14(16)17)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
- InChI Key： CFMRKUYJARYXBX-CYBMUJFWSA-N
- SMILES： O(CC1C=CC=CC=1)C([C@@H](CC(=O)O)CC(C)C)=O
Computed Properties
- Exact Mass: 263.12837
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 293
- 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: 2.8
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 66.43
Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
129776-60-9 (Butanedioic acid, (2-methylpropyl)-, 1-(phenylmethyl) ester, (R)-) Related Products
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- 140-25-0(Dodecanoic acid,phenylmethyl ester)
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- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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