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1010836-49-3 | 2H-Pyran-4-carboxylic acid, tetrahydro-4-methoxy-
CAS No: 1010836-49-3 Catalog No: AG0003P4 MDL No:MFCD12024537
Product Description
Catalog Number:
AG0003P4
Chemical Name:
2H-Pyran-4-carboxylic acid, tetrahydro-4-methoxy-
CAS Number:
1010836-49-3
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD12024537
IUPAC Name:
4-methoxyoxane-4-carboxylic acid
InChI:
InChI=1S/C7H12O4/c1-10-7(6(8)9)2-4-11-5-3-7/h2-5H2,1H3,(H,8,9)
InChI Key:
VJJYOPVQSMINBP-UHFFFAOYSA-N
SMILES:
COC1(CCOCC1)C(=O)O
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:
-0.1
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