Cas no 500578-29-0 (Naphthalene, 1,2,3,4-tetrahydro-5-methoxy-8-methyl- (9CI))
500578-29-0 structure
Product Name:Naphthalene, 1,2,3,4-tetrahydro-5-methoxy-8-methyl- (9CI)
CAS No:500578-29-0
MF:C12H16O
MW:176.254843711853
CID:933152
PubChem ID:282453
Update Time:2025-04-19
Naphthalene, 1,2,3,4-tetrahydro-5-methoxy-8-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1,2,3,4-tetrahydro-5-methoxy-8-methyl- (9CI)
- NSC-135931
- NAPHTHALENE, 1,2,3,4-TETRAHYDRO-5-METHOXY-8-METHYL-
- 5-methoxy-8-methyl-1,2,3,4-tetrahydronaphthalene
- DB-277194
- 500578-29-0
- NSC135931
-
- Inchi： 1S/C12H16O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h7-8H,3-6H2,1-2H3
- InChI Key： ZLMMSWOHDKSSFN-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=C(C)C2=C1CCCC2
Computed Properties
- Exact Mass: 176.120115130g/mol
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 3.6
- Topological Polar Surface Area: 9.2?2
Naphthalene, 1,2,3,4-tetrahydro-5-methoxy-8-methyl- (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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