Cas no 125366-77-0 (1-Naphthalenecarboxaldehyde,2,7,8-trihydroxy-)
125366-77-0 structure
Product Name:1-Naphthalenecarboxaldehyde,2,7,8-trihydroxy-
CAS No:125366-77-0
MF:C11H8O4
MW:204.178823471069
CID:235585
PubChem ID:25217674
Update Time:2025-04-19
1-Naphthalenecarboxaldehyde,2,7,8-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxaldehyde,2,7,8-trihydroxy-
- 1-Naphthalenecarboxaldehyde, 2,7,8-trihydroxy- (9CI)
- 2,7,8-TRIHYDROXYNAPHTHALENE-1-CARBALDEHYDE
- 125366-77-0
- 2,7,8-Trihydroxy-1-naphthaldehyde
-
- Inchi： 1S/C11H8O4/c12-5-7-8(13)3-1-6-2-4-9(14)11(15)10(6)7/h1-5,13-15H
- InChI Key： AHPVQKKHHIDVSQ-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2=CC=C(C(C=O)=C21)O)O
Computed Properties
- Exact Mass: 204.04224
- Monoisotopic Mass: 204.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 243
- 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
- Topological Polar Surface Area: 77.8A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 77.76
1-Naphthalenecarboxaldehyde,2,7,8-trihydroxy- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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