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1194375-07-9 | 2-Furancarboxylic acid, 3-aMino-5-ethyl-, Methyl ester
CAS No: 1194375-07-9 Catalog No: AG000P7A MDL No:MFCD11878021
Product Description
Catalog Number:
AG000P7A
Chemical Name:
2-Furancarboxylic acid, 3-aMino-5-ethyl-, Methyl ester
CAS Number:
1194375-07-9
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD11878021
IUPAC Name:
methyl 3-amino-5-ethylfuran-2-carboxylate
InChI:
InChI=1S/C8H11NO3/c1-3-5-4-6(9)7(12-5)8(10)11-2/h4H,3,9H2,1-2H3
InChI Key:
PTAFZMSCXGIKNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(cc1N)CC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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