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1173168-18-7 | 1-Butanol, 2-methoxy-, 1-acetate
CAS No: 1173168-18-7 Catalog No: AG000E3Z MDL No:MFCD06797047
Product Description
Catalog Number:
AG000E3Z
Chemical Name:
1-Butanol, 2-methoxy-, 1-acetate
CAS Number:
1173168-18-7
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD06797047
IUPAC Name:
2-methoxybutyl acetate
InChI:
InChI=1S/C7H14O3/c1-4-7(9-3)5-10-6(2)8/h7H,4-5H2,1-3H3
InChI Key:
ZWUWDFWEMWMTHX-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C)OC
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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