Cas no 75542-33-5 (2-phenyl-2-propylbutanedioic acid)
75542-33-5 structure
Product Name:2-phenyl-2-propylbutanedioic acid
CAS No:75542-33-5
MF:C13H16O4
MW:236.263744354248
CID:981848
PubChem ID:235914
Update Time:2025-04-19
2-phenyl-2-propylbutanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-phenyl-2-propylbutanedioic acid
- 2-phenyl-2-propylsuccinic acid
- NSC-37775
- XBX 00296
- MixCom1_000286
- SCHEMBL3388066
- SR-01000642124-1
- CCG-52925
- Oprea1_150443
- DTXSID20284582
- AKOS024333795
- 75542-33-5
- 2-phenyl-2-propyl-butanedioic acid
- BRD-A74839433-001-01-4
- Maybridge1_000154
- AOLREBWZLIOCII-UHFFFAOYSA-N
- NSC37775
- NSC 37775
-
- Inchi： 1S/C13H16O4/c1-2-8-13(12(16)17,9-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17)
- InChI Key： AOLREBWZLIOCII-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)(CC(=O)O)CCC)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2-phenyl-2-propylbutanedioic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
75542-33-5 (2-phenyl-2-propylbutanedioic acid) Related Products
- 635-51-8(2-phenylbutanedioic acid)
- 3508-94-9(3-Methyl-2-phenylbutanoic Acid)
- 4036-30-0((S)-(+)-Phenylsuccinic acid)
- 5465-28-1(2-phenyl-2-ethyl butyric Acid)
- 3900-93-4(2-Cyclopentyl-2-phenylacetic Acid)
- 1135-67-7(1-Phenylcyclohexanecarboxylic acid)
- 77-55-4(1-phenylcyclopentane-1-carboxylic acid)
- 37828-19-6(1-phenylcyclobutane-1-carboxylic acid)
- 6120-95-2(1-phenylcyclopropane-1-carboxylic acid)
- 90-27-7(2-Phenylbutyric acid)
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