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114482-46-1 | 4-Oxazolecarboxylic acid, 4,5-dihydro-2-methyl-
CAS No: 114482-46-1 Catalog No: AG000EJ0 MDL No:
Product Description
Catalog Number:
AG000EJ0
Chemical Name:
4-Oxazolecarboxylic acid, 4,5-dihydro-2-methyl-
CAS Number:
114482-46-1
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
IUPAC Name:
2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C5H7NO3/c1-3-6-4(2-9-3)5(7)8/h4H,2H2,1H3,(H,7,8)
InChI Key:
LTTBGZMDORNBCE-UHFFFAOYSA-N
SMILES:
CC1=NC(CO1)C(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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