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88326-53-8 | 3-Cyclopentene-1-carboxylic acid, 1-acetyl-, methyl ester
CAS No: 88326-53-8 Catalog No: AG0048BF MDL No:
Product Description
Catalog Number:
AG0048BF
Chemical Name:
3-Cyclopentene-1-carboxylic acid, 1-acetyl-, methyl ester
CAS Number:
88326-53-8
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
methyl 1-acetylcyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C9H12O3/c1-7(10)9(8(11)12-2)5-3-4-6-9/h3-4H,5-6H2,1-2H3
InChI Key:
VXFILLHPSWSOGO-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC=CC1)C(=O)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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