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1379329-83-5 | 4-(4-Chloro-3,5-dimethylphenyl)-1-buten-4-ol
CAS No: 1379329-83-5 Catalog No: AG01FANN MDL No:
Product Description
Catalog Number:
AG01FANN
Chemical Name:
4-(4-Chloro-3,5-dimethylphenyl)-1-buten-4-ol
CAS Number:
1379329-83-5
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
1-(4-chloro-3,5-dimethylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C12H15ClO/c1-4-5-11(14)10-6-8(2)12(13)9(3)7-10/h4,6-7,11,14H,1,5H2,2-3H3
InChI Key:
JIRVVZCPLXPMPC-UHFFFAOYSA-N
SMILES:
C=CCC(c1cc(C)c(c(c1)C)Cl)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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