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116145-61-0 | 4-Pentenoic acid, 4-methyl-2-(phenylmethylene)-, methyl ester, (2E)-
CAS No: 116145-61-0 Catalog No: AG000BQU MDL No:
Product Description
Catalog Number:
AG000BQU
Chemical Name:
4-Pentenoic acid, 4-methyl-2-(phenylmethylene)-, methyl ester, (2E)-
CAS Number:
116145-61-0
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
methyl 2-benzylidene-4-methylpent-4-enoate
InChI:
InChI=1S/C14H16O2/c1-11(2)9-13(14(15)16-3)10-12-7-5-4-6-8-12/h4-8,10H,1,9H2,2-3H3
InChI Key:
BFDHXYGIXZEITM-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1ccccc1)/CC(=C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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