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113387-99-8 | 3-Buten-1-ol, 4-(2-chlorophenyl)-, (E)- (9CI)
CAS No: 113387-99-8 Catalog No: AG0008DN MDL No:
Product Description
Catalog Number:
AG0008DN
Chemical Name:
3-Buten-1-ol, 4-(2-chlorophenyl)-, (E)- (9CI)
CAS Number:
113387-99-8
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
4-(2-chlorophenyl)but-3-en-1-ol
InChI:
InChI=1S/C10H11ClO/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-3,5-7,12H,4,8H2
InChI Key:
AJSZLGXJNXBZQX-UHFFFAOYSA-N
SMILES:
OCC/C=C/c1ccccc1Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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