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116385-75-2 | 1,3-Cyclopentadiene-1-carboxylic acid, 2-propen-1-yl ester
CAS No: 116385-75-2 Catalog No: AG000CD0 MDL No:
Product Description
Catalog Number:
AG000CD0
Chemical Name:
1,3-Cyclopentadiene-1-carboxylic acid, 2-propen-1-yl ester
CAS Number:
116385-75-2
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
InChI:
InChI=1S/C9H10O2/c1-7(2)11-9(10)8-5-3-4-6-8/h3-5H,1,6H2,2H3
InChI Key:
ZKWNQHSKSYRZBG-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C1=CC=CC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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