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835651-50-8 | 4-Penten-2-ol, 3-methylene-5-phenyl-, benzoate, (4E)-
CAS No: 835651-50-8 Catalog No: AG004UG9 MDL No:
Product Description
Catalog Number:
AG004UG9
Chemical Name:
4-Penten-2-ol, 3-methylene-5-phenyl-, benzoate, (4E)-
CAS Number:
835651-50-8
Molecular Formula:
C19H20O3
Molecular Weight:
296.3603
IUPAC Name:
benzoic acid;3-methylidene-5-phenylpent-4-en-2-ol
InChI:
InChI=1S/C12H14O.C7H6O2/c1-10(11(2)13)8-9-12-6-4-3-5-7-12;8-7(9)6-4-2-1-3-5-6/h3-9,11,13H,1H2,2H3;1-5H,(H,8,9)
InChI Key:
JTBGPPRSQPGIKL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.CC(C(=C)/C=C/c1ccccc1)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.366g/mol
Monoisotopic Mass:
296.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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