Cas no 51689-51-1 (1,3-Benzenedimethanol, 2-methyl-)
51689-51-1 structure
Product Name:1,3-Benzenedimethanol, 2-methyl-
CAS No:51689-51-1
MF:C9H12O2
MW:152.190382957458
CID:361640
PubChem ID:13184873
Update Time:2025-04-19
1,3-Benzenedimethanol, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedimethanol, 2-methyl-
- [3-(hydroxymethyl)-2-methylphenyl]methanol
- 51689-51-1
- (2-Methyl-1,3-phenylene)dimethanol
- DTXSID20525669
- SCHEMBL6424004
-
- Inchi： 1S/C9H12O2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4,10-11H,5-6H2,1H3
- InChI Key： REFZQIXMRBQVOP-UHFFFAOYSA-N
- SMILES： OCC1C=CC=C(CO)C=1C
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 102
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,3-Benzenedimethanol, 2-methyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
51689-51-1 (1,3-Benzenedimethanol, 2-methyl-) Related Products
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- 612-14-6(1,2-Benzenedimethanol)
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- 4170-90-5(2,4,6-Trimethylbenzyl alcohol)
- 89-95-2(2-Methylbenzyl alcohol)
- 31554-15-1(2,3-Naphthalenedimethanol)
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