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114524-37-7 | 3-Butenoic acid, 4-phenoxy-, methyl ester, (Z)- (9CI)
CAS No: 114524-37-7 Catalog No: AG000EN1 MDL No:
Product Description
Catalog Number:
AG000EN1
Chemical Name:
3-Butenoic acid, 4-phenoxy-, methyl ester, (Z)- (9CI)
CAS Number:
114524-37-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
methyl 4-phenoxybut-3-enoate
InChI:
InChI=1S/C11H12O3/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-7,9H,8H2,1H3
InChI Key:
WHRSKEFNIQOUIL-UHFFFAOYSA-N
SMILES:
COC(=O)C/C=C\Oc1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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