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286852-04-8 | Benzoic acid, 4-(dimethoxymethyl)-, 2-propen-1-yl ester
CAS No: 286852-04-8 Catalog No: AG002W2W MDL No:
Product Description
Catalog Number:
AG002W2W
Chemical Name:
Benzoic acid, 4-(dimethoxymethyl)-, 2-propen-1-yl ester
CAS Number:
286852-04-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
prop-2-enyl 4-(dimethoxymethyl)benzoate
InChI:
InChI=1S/C13H16O4/c1-4-9-17-12(14)10-5-7-11(8-6-10)13(15-2)16-3/h4-8,13H,1,9H2,2-3H3
InChI Key:
QZCLCTVNZPTDIB-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)C(=O)OCC=C)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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