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189578-34-5 | 1-Cyclohexene-1-acetic acid, 2-hydroxy-6-oxo-
CAS No: 189578-34-5 Catalog No: AG002DS0 MDL No:MFCD20649873
Product Description
Catalog Number:
AG002DS0
Chemical Name:
1-Cyclohexene-1-acetic acid, 2-hydroxy-6-oxo-
CAS Number:
189578-34-5
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD20649873
IUPAC Name:
2-(2-hydroxy-6-oxocyclohexen-1-yl)acetic acid
InChI:
InChI=1S/C8H10O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h9H,1-4H2,(H,11,12)
InChI Key:
AJQMSDDBVXJEAR-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(O)CCCC1=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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