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70964-65-7 | dimethyl(1r,2r)-1-methylcyclopropane-1,2-dicarboxylate
CAS No: 70964-65-7 Catalog No: AG005FK7 MDL No:
Product Description
Catalog Number:
AG005FK7
Chemical Name:
dimethyl(1r,2r)-1-methylcyclopropane-1,2-dicarboxylate
CAS Number:
70964-65-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
ethyl 3-oxo-1,2-benzoxazole-2-carboxylate
InChI:
InChI=1S/C10H9NO4/c1-2-14-10(13)11-9(12)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3
InChI Key:
IBTAJIMCRCZHRC-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1C[C@@]1(C)C(=O)OC
NSC Number:
355379
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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