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141872-80-2 | Pentanoic acid, 2-ethylidene-4,4-dimethyl-, methyl ester
CAS No: 141872-80-2 Catalog No: AG001HB2 MDL No:
Product Description
Catalog Number:
AG001HB2
Chemical Name:
Pentanoic acid, 2-ethylidene-4,4-dimethyl-, methyl ester
CAS Number:
141872-80-2
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
methyl 2-ethylidene-4,4-dimethylpentanoate
InChI:
InChI=1S/C10H18O2/c1-6-8(9(11)12-5)7-10(2,3)4/h6H,7H2,1-5H3
InChI Key:
VRCXYFUXTURPBC-UHFFFAOYSA-N
SMILES:
CC=C(C(=O)OC)CC(C)(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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