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141765-54-0 | 2-Propenal, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS No: 141765-54-0 Catalog No: AG001H0J MDL No:
Product Description
Catalog Number:
AG001H0J
Chemical Name:
2-Propenal, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS Number:
141765-54-0
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enal
InChI:
InChI=1S/C13H12N2O/c16-9-1-2-12-3-5-13(6-4-12)10-15-8-7-14-11-15/h1-9,11H,10H2
InChI Key:
CXGDIFQPJZSBSU-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc(cc1)Cn1ccnc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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