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100190-16-7 | 2H-Pyran-3-carboxylic acid, tetrahydro-6-methoxy-, cis- (9CI)
CAS No: 100190-16-7 Catalog No: AG00016W MDL No:
Product Description
Catalog Number:
AG00016W
Chemical Name:
2H-Pyran-3-carboxylic acid, tetrahydro-6-methoxy-, cis- (9CI)
CAS Number:
100190-16-7
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
(3S,6S)-6-methoxyoxane-3-carboxylic acid
InChI:
InChI=1S/C7H12O4/c1-10-6-3-2-5(4-11-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1
InChI Key:
KSNJMWUSUYKVTL-WDSKDSINSA-N
SMILES:
CO[C@@H]1CC[C@@H](CO1)C(=O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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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