Cas no 648433-15-2 (1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1R,2S)-)
648433-15-2 structure
Product Name:1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1R,2S)-
CAS No:648433-15-2
MF:C13H13O4
MW:233.239924192429
CID:414621
PubChem ID:71378391
Update Time:2025-04-19
1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1R,2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1R,2S)-
- (1S,2R)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
- 648433-15-2
- DTXSID80801012
- (1S,2R)-2-[(Benzyloxy)carbonyl]cyclobutane-1-carboxylatato
-
- Inchi： 1S/C13H14O4/c14-12(15)10-6-7-11(10)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)/p-1/t10-,11+/m0/s1
- InChI Key： QPQJKZNHXUCVLC-WDEREUQCSA-M
- SMILES： O(CC1C=CC=CC=1)C([C@@H]1CC[C@@H]1C(=O)[O-])=O
Computed Properties
- Exact Mass: 233.08138389g/mol
- Monoisotopic Mass: 233.08138389g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 66.4?2
1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1R,2S)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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