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1001907-64-7 | 5,8-dioxaspiro[3.4]octane-2-carboxylic acid
CAS No: 1001907-64-7 Catalog No: AG00016H MDL No:MFCD11036133
Product Description
Catalog Number:
AG00016H
Chemical Name:
5,8-dioxaspiro[3.4]octane-2-carboxylic acid
CAS Number:
1001907-64-7
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD11036133
IUPAC Name:
5,8-dioxaspiro[3.4]octane-2-carboxylic acid
InChI:
InChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9)
InChI Key:
PGWGOPXPTJDZKT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2(C1)OCCO2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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