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832712-92-2 | 2-Pentenoic acid, 3-methyl-5-(2-methylphenyl)-, methyl ester, (2E)-
CAS No: 832712-92-2 Catalog No: AG0056R4 MDL No:
Product Description
Catalog Number:
AG0056R4
Chemical Name:
2-Pentenoic acid, 3-methyl-5-(2-methylphenyl)-, methyl ester, (2E)-
CAS Number:
832712-92-2
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
methyl 3-methyl-5-(2-methylphenyl)pent-2-enoate
InChI:
InChI=1S/C14H18O2/c1-11(10-14(15)16-3)8-9-13-7-5-4-6-12(13)2/h4-7,10H,8-9H2,1-3H3
InChI Key:
YZPYXYNDTJZAMK-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(/CCc1ccccc1C)\C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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