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19819-94-4 | Benzoic acid, 4-(2-propen-1-yl)-, ethyl ester
CAS No: 19819-94-4 Catalog No: AG002BC2 MDL No:MFCD01319582
Product Description
Catalog Number:
AG002BC2
Chemical Name:
Benzoic acid, 4-(2-propen-1-yl)-, ethyl ester
CAS Number:
19819-94-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD01319582
IUPAC Name:
ethyl 4-prop-2-enylbenzoate
InChI:
InChI=1S/C12H14O2/c1-3-5-10-6-8-11(9-7-10)12(13)14-4-2/h3,6-9H,1,4-5H2,2H3
InChI Key:
NPVWWCUHHQUWAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)CC=C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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