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70346-53-1 | 2-Propenoic acid, 3-(1-methyl-1H-imidazol-4-yl)-, methyl ester, (E)-
CAS No: 70346-53-1 Catalog No: AG005VOZ MDL No:
Product Description
Catalog Number:
AG005VOZ
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-imidazol-4-yl)-, methyl ester, (E)-
CAS Number:
70346-53-1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
methyl 3-(1-methylimidazol-4-yl)prop-2-enoate
InChI:
InChI=1S/C8H10N2O2/c1-10-5-7(9-6-10)3-4-8(11)12-2/h3-6H,1-2H3
InChI Key:
ZJFGWCZJLLTFSC-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ncn(c1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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