Cas no 54004-28-3 ((E)-5-heptenoic acid methyl ester)
54004-28-3 structure
Product Name:(E)-5-heptenoic acid methyl ester
CAS No:54004-28-3
MF:C8H14O2
MW:142.195562839508
CID:2195686
PubChem ID:5366847
Update Time:2025-04-21
(E)-5-heptenoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (E)-5-heptenoic acid methyl ester
- methyl(e)-5-heptenoate
- (E)-hept-5-enoic acid methyl ester
- Methyl (5E)-5-heptenoate #
- DB-344828
- ARLQDYZAXIPMJQ-ONEGZZNKSA-N
- SCHEMBL4541269
- Methyl (5E)-5-heptenoate
- 5-Heptenoic acid, methyl ester, (E)-
- 54004-28-3
-
- Inchi： 1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3-4H,5-7H2,1-2H3/b4-3+
- InChI Key： ARLQDYZAXIPMJQ-ONEGZZNKSA-N
- SMILES： O(C)C(CCC/C=C/C)=O
Computed Properties
- Exact Mass: 142.099379685Da
- Monoisotopic Mass: 142.099379685Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 26.3?2
(E)-5-heptenoic acid methyl ester Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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