Home Other Building Blocks Ethyl 3-formylbenzoate

Ethyl 3-formylbenzoate

CAS No.:
33745-47-0
Catalog Number:
AG003JI4
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
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Product Description
Catalog Number:
AG003JI4
Chemical Name:
Ethyl 3-formylbenzoate
CAS Number:
33745-47-0
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD08064275
IUPAC Name:
ethyl 3-formylbenzoate
InChI:
InChI=1S/C10H10O3/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-7H,2H2,1H3
InChI Key:
XZYGRRSTJVFZLS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C=O
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties