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1378608-06-0 | 4-(3-Chloro-6-methylphenyl)-1-buten-4-ol
CAS No: 1378608-06-0 Catalog No: AG01FBZG MDL No:
Product Description
Catalog Number:
AG01FBZG
Chemical Name:
4-(3-Chloro-6-methylphenyl)-1-buten-4-ol
CAS Number:
1378608-06-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(5-chloro-2-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13ClO/c1-3-4-11(13)10-7-9(12)6-5-8(10)2/h3,5-7,11,13H,1,4H2,2H3
InChI Key:
SNNFMAUJNVVSJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(CC=C)O)Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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