Cas no 97677-83-3 (1,4-Butanediol, 2-(phenylmethyl)-)
97677-83-3 structure
Product Name:1,4-Butanediol, 2-(phenylmethyl)-
CAS No:97677-83-3
MF:C11H16O2
MW:180.243543624878
CID:750924
PubChem ID:13428547
Update Time:2025-04-19
1,4-Butanediol, 2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediol, 2-(phenylmethyl)-
- 2-benzylbutane-1,4-diol
- 97677-83-3
- SCHEMBL7906029
- DTXSID60540533
- MZSIQTVSNURLNU-UHFFFAOYSA-N
- 2-Benzyl-1,4-butanediol
-
- Inchi： 1S/C11H16O2/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
- InChI Key： MZSIQTVSNURLNU-UHFFFAOYSA-N
- SMILES： OCC(CCO)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 180.115029749g/mol
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 119
- 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: 1.4
- Topological Polar Surface Area: 40.5?2
1,4-Butanediol, 2-(phenylmethyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
97677-83-3 (1,4-Butanediol, 2-(phenylmethyl)-) Related Products
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- 936-98-1(Cyclopropanemethanol, 2-phenyl-, (1R,2R)-rel-)
- 83811-73-8((4-Phenylcyclohexyl)methanol)
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- 4756-19-8(Cyclamen Alcohol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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