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Benzenepropanoic acid,4-methoxy-a-phenyl-, methyl ester 5448-41-9 CAS NO.5448-41-9
- Min.Order: 1 Kilogram
- Payment Terms: L/C,T/T,
- Product Details
Keywords
- Benzenepropanoic acid,4-methoxy-a-phenyl-, methyl ester
- 5448-41-9
- 98%
Quick Details
- ProName: Benzenepropanoic acid,4-methoxy-a-phen...
- CasNo: 5448-41-9
- Molecular Formula: C17H18 O3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Kilogram
- Grade: Industrial Grade
Superiority
Details
【Name】
Benzenepropanoic acid,4-methoxy-a-phenyl-, methyl ester
【Iupac name】
methyl 3-(4-methoxyphenyl)-2-phenylpropanoate
【CAS Registry number】
5448-41-9
【Synonyms】
Propionicacid, 3-(p-methoxyphenyl)-2-phenyl-, methyl ester (8CI)
Hydrocinnamic acid,p-methoxy-a-phenyl-, methyl ester
NSC 17951
【Molecular Formula】
C17H18 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C17H18O3/c1-19-15-10-8-13(9-11-15)12-16(17(18)20-2)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
【Canonical SMILES】
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OC
【MOL File】
5448-41-9.mol
Chemical and Physical Properties
【Density】
1.106g/cm3
【Boiling Point】
363.4°Cat760mmHg
【Refractive Index】
1.551
【Flash Point】
151.8°C
【Computed Properties】
Molecular Weight:270.32302 [g/mol]
Molecular Formula:C17H18O3
XLogP3-AA:3.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:270.125594
MonoIsotopic Mass:270.125594
Topological Polar Surface Area:35.5
Heavy Atom Count:20
Formal Charge:0
Complexity:289
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:24