Name: Name:5,9-dioxatetracyclo[4.4.0.0^{2,4}.0^{3,7}]decane-4-carboxylic acid
Brand: Angene
SKU: AG01BJHX
Rating: 90 (10 reviews)

5,9-dioxatetracyclo[4.4.0.0^{2,4}.0^{3,7}]decane-4-carboxylic acid

CAS No.:

135922-85-9

Catalog Number:

AG01BJHX

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

Catalog Number:

AG01BJHX

Chemical Name:

5,9-dioxatetracyclo[4.4.0.0^{2,4}.0^{3,7}]decane-4-carboxylic acid

CAS Number:

135922-85-9

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

MDL Number:

MFCD20640364

IUPAC Name:

5,9-dioxatetracyclo[4.4.0.02,4.03,7]decane-4-carboxylic acid

InChI:

InChI=1S/C9H10O4/c10-8(11)9-5-3-1-12-2-4(6(5)9)7(3)13-9/h3-7H,1-2H2,(H,10,11)

InChI Key:

GTTUKRXCHWFGCO-UHFFFAOYSA-N

SMILES:

OC(=O)C12OC3C4C1C2C3COC4

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4