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100017-26-3 | 3-Buten-2-ol, 4-phenyl-, acetate, (2R,3Z)- (9CI)
CAS No: 100017-26-3 Catalog No: AG0000AC MDL No:
Product Description
Catalog Number:
AG0000AC
Chemical Name:
3-Buten-2-ol, 4-phenyl-, acetate, (2R,3Z)- (9CI)
CAS Number:
100017-26-3
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
acetic acid;4-phenylbut-3-en-2-ol
InChI:
InChI=1S/C10H12O.C2H4O2/c1-9(11)7-8-10-5-3-2-4-6-10;1-2(3)4/h2-9,11H,1H3;1H3,(H,3,4)
InChI Key:
HBNKWRWTTCBZNL-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@@H](/C=C\c1ccccc1)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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