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80922-64-1 | Oxiranepropanoic acid, 3,3-dimethyl-, ethyl ester
CAS No: 80922-64-1 Catalog No: AG0056UK MDL No:
Product Description
Catalog Number:
AG0056UK
Chemical Name:
Oxiranepropanoic acid, 3,3-dimethyl-, ethyl ester
CAS Number:
80922-64-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
ethyl 3-(3,3-dimethyloxiran-2-yl)propanoate
InChI:
InChI=1S/C9H16O3/c1-4-11-8(10)6-5-7-9(2,3)12-7/h7H,4-6H2,1-3H3
InChI Key:
RGXQUIYOIGFORB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1OC1(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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