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146464-72-4 | 1-Buten-1-ol, 4-(3,3-dimethyloxiranyl)-2-methyl-, formate, (1E)- (9CI)
CAS No: 146464-72-4 Catalog No: AG001E1E MDL No:
Product Description
Catalog Number:
AG001E1E
Chemical Name:
1-Buten-1-ol, 4-(3,3-dimethyloxiranyl)-2-methyl-, formate, (1E)- (9CI)
CAS Number:
146464-72-4
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
4-(3,3-dimethyloxiran-2-yl)-2-methylbut-1-en-1-ol;formic acid
InChI:
InChI=1S/C9H16O2.CH2O2/c1-7(6-10)4-5-8-9(2,3)11-8;2-1-3/h6,8,10H,4-5H2,1-3H3;1H,(H,2,3)
InChI Key:
HRQREVKOABBCDF-UHFFFAOYSA-N
SMILES:
O=CO/C=C(/CCC1OC1(C)C)\C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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