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15057-11-1 | 1-Butanol, 4-methoxy-, 1-acetate
CAS No: 15057-11-1 Catalog No: AG001MQJ MDL No:MFCD06797048
Product Description
Catalog Number:
AG001MQJ
Chemical Name:
1-Butanol, 4-methoxy-, 1-acetate
CAS Number:
15057-11-1
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD06797048
IUPAC Name:
4-methoxybutyl acetate
InChI:
InChI=1S/C7H14O3/c1-7(8)10-6-4-3-5-9-2/h3-6H2,1-2H3
InChI Key:
LMLBDDCTBHGHEO-UHFFFAOYSA-N
SMILES:
COCCCCOC(=O)C
Properties
Complexity:
90.9
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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