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16491-63-7 | Cyclohexanecarboxylic acid, 2-propen-1-yl ester
CAS No: 16491-63-7 Catalog No: AG001V5C MDL No:
Product Description
Catalog Number:
AG001V5C
Chemical Name:
Cyclohexanecarboxylic acid, 2-propen-1-yl ester
CAS Number:
16491-63-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
prop-2-enyl cyclohexanecarboxylate
InChI:
InChI=1S/C10H16O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChI Key:
AIPJCMMALQPRMK-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C1CCCCC1
EC Number:
240-556-3
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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