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183509-48-0 | Benzenepropanoic acid, α-ethenyl-, (αR)-
CAS No: 183509-48-0 Catalog No: AG0027NG MDL No:
Product Description
Catalog Number:
AG0027NG
Chemical Name:
Benzenepropanoic acid, α-ethenyl-, (αR)-
CAS Number:
183509-48-0
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
(2R)-2-benzylbut-3-enoic acid
InChI:
InChI=1S/C11H12O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/t10-/m0/s1
InChI Key:
MNZZWRMTHMXOND-JTQLQIEISA-N
SMILES:
C=C[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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