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127356-56-3 | Benzoic acid, 3-(3-methyl-3-buten-1-yl)-, ethyl ester
CAS No: 127356-56-3 Catalog No: AG000WXL MDL No:
Product Description
Catalog Number:
AG000WXL
Chemical Name:
Benzoic acid, 3-(3-methyl-3-buten-1-yl)-, ethyl ester
CAS Number:
127356-56-3
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
ethyl 3-(3-methylbut-3-enyl)benzoate
InChI:
InChI=1S/C14H18O2/c1-4-16-14(15)13-7-5-6-12(10-13)9-8-11(2)3/h5-7,10H,2,4,8-9H2,1,3H3
InChI Key:
JDWNCCIRUNJUIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)CCC(=C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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