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626-38-0 | 2-Pentanol, 2-acetate
CAS No: 626-38-0 Catalog No: AG000D8F MDL No:
Product Description
Catalog Number:
AG000D8F
Chemical Name:
2-Pentanol, 2-acetate
CAS Number:
626-38-0
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
pentan-2-yl acetate
InChI:
InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
GQKZRWSUJHVIPE-UHFFFAOYSA-N
SMILES:
CCCC(OC(=O)C)C
EC Number:
210-946-8
FEMA Number:
4012
RTECS Number:
AJ2100000
UN Number:
1104
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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