Cas no 74978-19-1 (Heptadecanoic acid,phenylmethyl ester)
74978-19-1 structure
Product Name:Heptadecanoic acid,phenylmethyl ester
CAS No:74978-19-1
MF:C24H40O2
MW:360.573207855225
CID:557624
PubChem ID:522569
Update Time:2025-04-19
Heptadecanoic acid,phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanoic acid,phenylmethyl ester
- Benzyl heptadecanoate
- Heptadecanoicacid,phenylm
- 74978-19-1
- Benzyl heptadecanoate #
- DTXSID40335000
- XFIKDNCHPGLFLR-UHFFFAOYSA-N
- Heptadecanoic acid, phenylmethyl ester
- SCHEMBL6832768
-
- Inchi: 1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25)26-22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
- InChI Key: XFIKDNCHPGLFLR-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C(CCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 360.303
- Monoisotopic Mass: 360.302830514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 18
- Complexity: 307
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 9.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Heptadecanoic acid,phenylmethyl ester Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
74978-19-1 (Heptadecanoic acid,phenylmethyl ester) Related Products
- 31161-71-4(Tetradecanoic acid,phenylmethyl ester)
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- 3089-55-2(Benzyl octyl adipate)
- 2451-84-5(Dibenzyl adipate)
- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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