Cas no 5111-67-1 (2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-1-METHYL-)
5111-67-1 structure
Product Name:2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-1-METHYL-
CAS No:5111-67-1
MF:C12H14O2
MW:190.238363742828
CID:3237569
PubChem ID:10035424
Update Time:2025-04-21
2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-1-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-1-METHYL-
- (rac)-6-methoxy-1-methyl-3,4-dihydro-1h-naphthalen-2-one
- 3,4-Dihydro-6-methoxy-1-methyl-2(1H)-naphthalenone
- DTXSID401229994
- 5111-67-1
- SCHEMBL6249142
- (rac)-6-methoxy-1-methyl-3,4-dihydro-1h-naphthalene-2-one
- PLVQHRKJVDZNTK-UHFFFAOYSA-N
-
- Inchi： 1S/C12H14O2/c1-8-11-5-4-10(14-2)7-9(11)3-6-12(8)13/h4-5,7-8H,3,6H2,1-2H3
- InChI Key： PLVQHRKJVDZNTK-UHFFFAOYSA-N
- SMILES： O=C1CCC2C=C(C=CC=2C1C)OC
Computed Properties
- Exact Mass: 190.099379685g/mol
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 2.1
- Topological Polar Surface Area: 26.3?2
2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-1-METHYL- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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