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3085-35-6 | Methanol, 1-butoxy-
CAS No: 3085-35-6 Catalog No: AG0031I9 MDL No:MFCD21604519
Product Description
Catalog Number:
AG0031I9
Chemical Name:
Methanol, 1-butoxy-
CAS Number:
3085-35-6
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD21604519
IUPAC Name:
butoxymethanol
InChI:
InChI=1S/C5H12O2/c1-2-3-4-7-5-6/h6H,2-5H2,1H3
InChI Key:
CRHLZRRTZDFDAJ-UHFFFAOYSA-N
SMILES:
CCCCOCO
EC Number:
221-395-8
UNII:
JR1C033485
Properties
Complexity:
29.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Biodegradation of butachlor by Rhodococcus sp. strain B1 and purification of its hydrolase (ChlH) responsible for N-dealkylation of chloroacetamide herbicides. | Journal of agricultural and food chemistry 20121219 |
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