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123853-55-4 | 2-Propen-1-ol, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, (Z)- (9CI)
CAS No: 123853-55-4 Catalog No: AG000L6L MDL No:
Product Description
Catalog Number:
AG000L6L
Chemical Name:
2-Propen-1-ol, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, (Z)- (9CI)
CAS Number:
123853-55-4
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-en-1-ol
InChI:
InChI=1S/C13H14N2O/c16-9-1-2-12-3-5-13(6-4-12)10-15-8-7-14-11-15/h1-8,11,16H,9-10H2
InChI Key:
LSGKQNNFEGZTQJ-UHFFFAOYSA-N
SMILES:
OC/C=C\c1ccc(cc1)Cn1ccnc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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