Cas no 41701-84-2 (formaldehyde; 2-methylphenol; 3-methylphenol; 4-methylphenol; phenol)
41701-84-2 structure
Product Name:formaldehyde; 2-methylphenol; 3-methylphenol; 4-methylphenol; phenol
CAS No:41701-84-2
MF:C28H32O5
MW:448.550688743591
CID:332231
PubChem ID:6451785
Update Time:2025-04-19
formaldehyde; 2-methylphenol; 3-methylphenol; 4-methylphenol; phenol Chemical and Physical Properties
Names and Identifiers
-
- Formaldehyde, polymer with 2-methylphenol, 3-methylphenol, 4-methylphenol and phenol
- formaldehyde,2-methylphenol,3-methylphenol,4-methylphenol,phenol
- 2-methylphenol
- 3-methylphenol
- 4-methylphenol
- formaldehyde
- phenol
- 41701-84-2
- formaldehyde; 2-methylphenol; 3-methylphenol; 4-methylphenol; phenol
-
- Inchi： 1S/3C7H8O.C6H6O.CH2O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6;1-2/h3*2-5,8H,1H3;1-5,7H;1H2
- InChI Key： QDKRAMJGAUVPAE-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C.OC1=CC=CC(C)=C1.OC1C=CC(C)=CC=1.OC1C=CC=CC=1.O=C
Computed Properties
- Exact Mass: 448.22497412g/mol
- Monoisotopic Mass: 448.22497412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98?2
formaldehyde; 2-methylphenol; 3-methylphenol; 4-methylphenol; phenol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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