Cas no 84604-51-3 (Propanoic acid,2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)- (9CI))
84604-51-3 structure
Product Name:Propanoic acid,2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)- (9CI)
CAS No:84604-51-3
MF:C14H18O3
MW:234.290924549103
CID:727005
PubChem ID:6429346
Update Time:2025-04-19
Propanoic acid,2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)- (9CI)
- (E)-2-methoxy-4-prop-1-enylphenyl isobutyrate
- [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate
- Pseudoisoeugenyl 2-methylbutyrate
- ISOEUGENOL ISOBUTYRATE
- HEOQGBRLGAJSLZ-AATRIKPKSA-N
- NS00061052
- Q27282856
- ISOBUTYRIC ACID (E)-2-METHOXY-4-(1-PROPENYL)PHENYL ESTER
- PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPEN-1-YL)PHENYL ESTER
- L921JM40LR
- (E)-2-METHOXY-4-PROP-1-ENYL PHENYL ISOBUTYRATE
- 84604-51-3
- UNII-L921JM40LR
- Pseudoisoeugenyl-2-methyl-butyrate
- EINECS 283-332-0
- Isoeugenyl isobutyrate, (E)-
- PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPENYL)PHENYL ESTER
- DTXSID101157598
- (E)-isoeugenyl isobutyrate
- SCHEMBL23532212
- Propanoic acid, 2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-
-
- Inchi: 1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+
- InChI Key: HEOQGBRLGAJSLZ-AATRIKPKSA-N
- SMILES: O(C1C=CC(/C=C/C)=CC=1OC)C(C(C)C)=O
Computed Properties
- Exact Mass: 234.125594432g/mol
- Monoisotopic Mass: 234.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 271
- 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: 3.7
- Topological Polar Surface Area: 35.5?2
Propanoic acid,2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)- (9CI) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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