Cas no 100482-30-2 (Benzoic acid,4-propoxy-3,5-dipropyl-)
100482-30-2 structure
Product Name:Benzoic acid,4-propoxy-3,5-dipropyl-
CAS No:100482-30-2
MF:C16H24O3
MW:264.359965324402
CID:231642
PubChem ID:57883
Update Time:2025-04-19
Benzoic acid,4-propoxy-3,5-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-propoxy-3,5-dipropyl-
- 4-Propoxy-3,5-dipropylbenzoic acid
- 4-propoxy-3,5-dipropyl-benzoic acid
- 3,5-Dipropyl-4-propoxybenzoic acid
- 4-Propyloxy-3.5-dipropyl-benzoesaeure
- AC1L1NW8
- AC1Q5TMM
- ACMC-20m3iy
- BENZOIC ACID, 3,5-DIPROPYL-4-PROPOXY-
- BRN 2590150
- CTK3J8983
- DTXSID20143322
- 100482-30-2
-
- Inchi： 1S/C16H24O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
- InChI Key： UDENWZIHICZBNA-UHFFFAOYSA-N
- SMILES： O(CCC)C1C(=CC(C(=O)O)=CC=1CCC)CCC
Computed Properties
- Exact Mass: 264.17262
- Monoisotopic Mass: 264.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 249
- 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
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid,4-propoxy-3,5-dipropyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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