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1378818-21-3 | 4-(3-Chloro-4-methylphenyl)-1-buten-4-ol
CAS No: 1378818-21-3 Catalog No: AG01FBZJ MDL No:
Product Description
Catalog Number:
AG01FBZJ
Chemical Name:
4-(3-Chloro-4-methylphenyl)-1-buten-4-ol
CAS Number:
1378818-21-3
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(3-chloro-4-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13ClO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h3,5-7,11,13H,1,4H2,2H3
InChI Key:
IPPHKPDNNAFKLL-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(c(c1)Cl)C)O
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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