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14506-33-3 | Benzenemethanol, 4-chloro-α-2-propen-1-yl-
CAS No: 14506-33-3 Catalog No: AG001KJ4 MDL No:MFCD03427246
Product Description
Catalog Number:
AG001KJ4
Chemical Name:
Benzenemethanol, 4-chloro-α-2-propen-1-yl-
CAS Number:
14506-33-3
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
MDL Number:
MFCD03427246
IUPAC Name:
1-(4-chlorophenyl)but-3-en-1-ol
InChI:
InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10,12H,1,3H2
InChI Key:
GJODRJDLQVBTMF-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(cc1)Cl)O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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