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2907-73-5 | Valeric acid, 2-carbamoyl-2,3-epoxy-3,4-dimethyl-, ethyl ester (7CI,8CI)
CAS No: 2907-73-5 Catalog No: AG002X8R MDL No:
Product Description
Catalog Number:
AG002X8R
Chemical Name:
Valeric acid, 2-carbamoyl-2,3-epoxy-3,4-dimethyl-, ethyl ester (7CI,8CI)
CAS Number:
2907-73-5
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
ethyl (2R,3S)-2-carbamoyl-3-methyl-3-propan-2-yloxirane-2-carboxylate
InChI:
InChI=1S/C10H17NO4/c1-5-14-8(13)10(7(11)12)9(4,15-10)6(2)3/h6H,5H2,1-4H3,(H2,11,12)/t9-,10+/m0/s1
InChI Key:
MHYJIDJBZIRGGN-VHSXEESVSA-N
SMILES:
CCOC(=O)C1(OC1(C)C(C)C)C(=O)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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