Home Other Building Blocks 4-Formylphenyl propionate

4-Formylphenyl propionate

CAS No.:
50262-48-1
Catalog Number:
AG003LZX
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
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Product Description
Catalog Number:
AG003LZX
Chemical Name:
4-Formylphenyl propionate
CAS Number:
50262-48-1
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00043522
IUPAC Name:
(4-formylphenyl) propanoate
InChI:
InChI=1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
InChI Key:
NKXPJXVTMWLHBC-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(cc1)C=O
Properties
Complexity:
181  
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:
1.6  
Properties