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115996-72-0 | 2H-Pyran-4-carboxylic acid, tetrahydro-4-hydroxy-, methyl ester
CAS No: 115996-72-0 Catalog No: AG000HEZ MDL No:MFCD12031301
Product Description
Catalog Number:
AG000HEZ
Chemical Name:
2H-Pyran-4-carboxylic acid, tetrahydro-4-hydroxy-, methyl ester
CAS Number:
115996-72-0
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD12031301
IUPAC Name:
methyl 4-hydroxyoxane-4-carboxylate
InChI:
InChI=1S/C7H12O4/c1-10-6(8)7(9)2-4-11-5-3-7/h9H,2-5H2,1H3
InChI Key:
YMKUGBABAIVMLG-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)CCOCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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