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116071-55-7 | 4-Penten-2-ol, 2-methyl-, 2-formate
CAS No: 116071-55-7 Catalog No: AG000BK9 MDL No:
Product Description
Catalog Number:
AG000BK9
Chemical Name:
4-Penten-2-ol, 2-methyl-, 2-formate
CAS Number:
116071-55-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
formic acid;2-methylpent-4-en-2-ol
InChI:
InChI=1S/C6H12O.CH2O2/c1-4-5-6(2,3)7;2-1-3/h4,7H,1,5H2,2-3H3;1H,(H,2,3)
InChI Key:
ABEATUUHRUZURW-UHFFFAOYSA-N
SMILES:
C=CCC(OC=O)(C)C
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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