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26423-89-2 | 2-Butenoic acid, 3-phenyl-, methyl ester, (2Z)-
CAS No: 26423-89-2 Catalog No: AG002T5L MDL No:
Product Description
Catalog Number:
AG002T5L
Chemical Name:
2-Butenoic acid, 3-phenyl-, methyl ester, (2Z)-
CAS Number:
26423-89-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
methyl (Z)-3-phenylbut-2-enoate
InChI:
InChI=1S/C11H12O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
InChI Key:
TYXHBFGDAZRKNT-HJWRWDBZSA-N
SMILES:
COC(=O)/C=C(\c1ccccc1)/C
NSC Number:
20768
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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