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89056-40-6 | Cyclobutanecarboxylic acid, 1-(3-chloro-2-butenyl)-, methyl ester
CAS No: 89056-40-6 Catalog No: AG0041KF MDL No:
Product Description
Catalog Number:
AG0041KF
Chemical Name:
Cyclobutanecarboxylic acid, 1-(3-chloro-2-butenyl)-, methyl ester
CAS Number:
89056-40-6
Molecular Formula:
C10H15ClO2
Molecular Weight:
202.6779
IUPAC Name:
methyl 1-(3-chlorobut-2-enyl)cyclobutane-1-carboxylate
InChI:
InChI=1S/C10H15ClO2/c1-8(11)4-7-10(5-3-6-10)9(12)13-2/h4H,3,5-7H2,1-2H3
InChI Key:
RUKNUDJPRYSSRB-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC1)CC=C(Cl)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.678g/mol
Monoisotopic Mass:
202.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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