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139086-78-5 | 2-Butenoic acid, 4-(2-formylphenyl)-, methyl ester, (2E)-
CAS No: 139086-78-5 Catalog No: AG001A7C MDL No:
Product Description
Catalog Number:
AG001A7C
Chemical Name:
2-Butenoic acid, 4-(2-formylphenyl)-, methyl ester, (2E)-
CAS Number:
139086-78-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
methyl 4-(2-formylphenyl)but-2-enoate
InChI:
InChI=1S/C12H12O3/c1-15-12(14)8-4-7-10-5-2-3-6-11(10)9-13/h2-6,8-9H,7H2,1H3
InChI Key:
FJNWZOITAUTPTN-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/Cc1ccccc1C=O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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