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Home > Imidazoles > 88181-49-1
88181-49-1 | 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, methyl ester, (Z)-
CAS No: 88181-49-1 Catalog No: AG004EVE MDL No:
Product Description
Catalog Number:
AG004EVE
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, methyl ester, (Z)-
CAS Number:
88181-49-1
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
methyl 3-(1H-imidazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C7H8N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h2-5H,1H3,(H,8,9)
InChI Key:
ZXKOENSQFURTSZ-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\c1c[nH]cn1
EC Number:
257-872-2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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