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740816-12-0 | 2-Pentenoic acid, 3-(2-formylphenoxy)-, methyl ester, (2E)-
CAS No: 740816-12-0 Catalog No: AG005HM7 MDL No:
Product Description
Catalog Number:
AG005HM7
Chemical Name:
2-Pentenoic acid, 3-(2-formylphenoxy)-, methyl ester, (2E)-
CAS Number:
740816-12-0
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
methyl 3-(2-formylphenoxy)pent-2-enoate
InChI:
InChI=1S/C13H14O4/c1-3-11(8-13(15)16-2)17-12-7-5-4-6-10(12)9-14/h4-9H,3H2,1-2H3
InChI Key:
DFNHORQJMWAMRP-UHFFFAOYSA-N
SMILES:
CC/C(=C\C(=O)OC)/Oc1ccccc1C=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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