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114496-17-2 | 2-Propenoic acid, 2-(2-methylphenoxy)ethyl ester
CAS No: 114496-17-2 Catalog No: AG000EKE MDL No:
Product Description
Catalog Number:
AG000EKE
Chemical Name:
2-Propenoic acid, 2-(2-methylphenoxy)ethyl ester
CAS Number:
114496-17-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-(2-methylphenoxy)ethyl prop-2-enoate
InChI:
InChI=1S/C12H14O3/c1-3-12(13)15-9-8-14-11-7-5-4-6-10(11)2/h3-7H,1,8-9H2,2H3
InChI Key:
BWTPZNAZVBTPIP-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOc1ccccc1C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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