Cas no 403507-41-5 (Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI))
403507-41-5 structure
Product Name:Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)
CAS No:403507-41-5
MF:C12H12O3
MW:204.221883773804
CID:325911
PubChem ID:3742829
Update Time:2025-04-19
Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-ethoxy-5-prop-2-ynoxybenzaldehyde
- Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)
- WHMCPWWKZKKUPM-UHFFFAOYSA
- InChI=1/C12H12O3/c1-3-7-15-11-5-6-12(14-4-2)10(8-11)9-13/h1,5-6,8-9H,4,7H2,2H3
- Benzaldehyde,2-ethoxy-5-(2-propynyloxy)-(9ci)
- DTXSID50395812
- 2-ethoxy-5-(prop-2-yn-1-yloxy)benzaldehyde
- 403507-41-5
- WHMCPWWKZKKUPM-UHFFFAOYSA-
-
- Inchi： 1S/C12H12O3/c1-3-7-15-11-5-6-12(14-4-2)10(8-11)9-13/h1,5-6,8-9H,4,7H2,2H3
- InChI Key： WHMCPWWKZKKUPM-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1C=O)OCC#C
Computed Properties
- Exact Mass: 204.07900
- Monoisotopic Mass: 204.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 241
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 1.90980
Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI) Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
403507-41-5 (Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)) Related Products
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