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1330-49-0 | 1-Butanol, methoxy-, 1-acetate
CAS No: 1330-49-0 Catalog No: AG0011HY MDL No:
Product Description
Catalog Number:
AG0011HY
Chemical Name:
1-Butanol, methoxy-, 1-acetate
CAS Number:
1330-49-0
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
acetic acid;1-methoxybutan-1-ol
InChI:
InChI=1S/C5H12O2.C2H4O2/c1-3-4-5(6)7-2;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)
InChI Key:
IPTNXMGXEGQYSY-UHFFFAOYSA-N
SMILES:
CCCC(OC(=O)C)OC
Properties
Complexity:
68.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.201g/mol
Monoisotopic Mass:
164.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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