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58045-41-3 | (E)-4-Formylcinnamic Acid Methyl Ester
CAS No: 58045-41-3 Catalog No: AG003C0R MDL No:MFCD00157179
Product Description
Catalog Number:
AG003C0R
Chemical Name:
(E)-4-Formylcinnamic Acid Methyl Ester
CAS Number:
58045-41-3
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD00157179
IUPAC Name:
methyl (E)-3-(4-formylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+
InChI Key:
KVXMLLMZXPRPNG-VOTSOKGWSA-N
SMILES:
COC(=O)C=Cc1ccc(cc1)C=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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