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844634-13-5 | Butanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No: 844634-13-5 Catalog No: AG00550U MDL No:
Product Description
Catalog Number:
AG00550U
Chemical Name:
Butanoic acid, 4-formyl-2-methoxyphenyl ester
CAS Number:
844634-13-5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(4-formyl-2-methoxyphenyl) butanoate
InChI:
InChI=1S/C12H14O4/c1-3-4-12(14)16-10-6-5-9(8-13)7-11(10)15-2/h5-8H,3-4H2,1-2H3
InChI Key:
FWHDAFFMONQTTP-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccc(cc1OC)C=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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