Cas no 7514-46-7 ( )
structure
Product Name:
CAS No:7514-46-7
MF:C22H18O2
MW:314.377126216888
CID:981553
PubChem ID:4682323
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(1,12-dimethylbenzo[c]phenanthren-5-yl)acetic acid
- (+-)-(1,12-Dimethyl-benzo[c]phenanthren-5-yl)-essigsaeure
- (1,12-dimethyl-benzo[c]phenanthren-5-yl)-acetic acid
- (1,12-Dimethyl-benzo[c]phenanthren-5-yl)-essigsaeure
- AC1NFEJO
- NSC407648
- DTXSID60405512
- NSC-407648
- 1,12-dimethylbenzo[c]phenanthrene-5-acetic acid
- 7514-46-7
-
-
- Inchi： 1S/C22H18O2/c1-13-5-3-7-15-9-10-16-11-17(12-19(23)24)18-8-4-6-14(2)21(18)22(16)20(13)15/h3-11H,12H2,1-2H3,(H,23,24)
- InChI Key： KAXGGFFVOPYXOL-UHFFFAOYSA-N
- SMILES： OC(CC1C=C2C=CC3C=CC=C(C)C=3C2=C2C(C)=CC=CC2=1)=O
Computed Properties
- Exact Mass: 314.13074
- Monoisotopic Mass: 314.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 473
- 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: 5.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 5.39010
Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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