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841202-02-6 | 3-Butenoic acid, 2-methoxy-4-phenyl-, methyl ester
CAS No: 841202-02-6 Catalog No: AG004SSL MDL No:
Product Description
Catalog Number:
AG004SSL
Chemical Name:
3-Butenoic acid, 2-methoxy-4-phenyl-, methyl ester
CAS Number:
841202-02-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 2-methoxy-4-phenylbut-3-enoate
InChI:
InChI=1S/C12H14O3/c1-14-11(12(13)15-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChI Key:
VJHBYASCVNYXEE-UHFFFAOYSA-N
SMILES:
COC(C(=O)OC)C=Cc1ccccc1
Properties
Complexity:
217
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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