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1378821-41-0 | 4-(3-Chloro-2-methylphenyl)-1-buten-4-ol
CAS No: 1378821-41-0 Catalog No: AG01FBZK MDL No:
Product Description
Catalog Number:
AG01FBZK
Chemical Name:
4-(3-Chloro-2-methylphenyl)-1-buten-4-ol
CAS Number:
1378821-41-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(3-chloro-2-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13ClO/c1-3-5-11(13)9-6-4-7-10(12)8(9)2/h3-4,6-7,11,13H,1,5H2,2H3
InChI Key:
WJWRFZIUMGSEBE-UHFFFAOYSA-N
SMILES:
Cc1c(C(CC=C)O)cccc1Cl
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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