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820236-11-1 | 1-Cyclopentene-1-carboxylic acid, 3-(1-methylethyl)-, ethyl ester
CAS No: 820236-11-1 Catalog No: AG0053E1 MDL No:
Product Description
Catalog Number:
AG0053E1
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 3-(1-methylethyl)-, ethyl ester
CAS Number:
820236-11-1
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
ethyl 3-propan-2-ylcyclopentene-1-carboxylate
InChI:
InChI=1S/C11H18O2/c1-4-13-11(12)10-6-5-9(7-10)8(2)3/h7-9H,4-6H2,1-3H3
InChI Key:
UNZDJDZBIPINLI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CC(CC1)C(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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