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1379349-83-3 | 4-(3-Chloro-6-methoxyphenyl)-1-buten-4-ol
CAS No: 1379349-83-3 Catalog No: AG01FBMA MDL No:
Product Description
Catalog Number:
AG01FBMA
Chemical Name:
4-(3-Chloro-6-methoxyphenyl)-1-buten-4-ol
CAS Number:
1379349-83-3
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13ClO2/c1-3-4-10(13)9-7-8(12)5-6-11(9)14-2/h3,5-7,10,13H,1,4H2,2H3
InChI Key:
ADXAYDYDYCHVQE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CC=C)O)Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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