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1174311-58-0 | 3-(4-Oxoquinazolin-3(4H)-yl)propanoic acid hydrochloride
CAS No: 1174311-58-0 Catalog No: AG01FMS2 MDL No:MFCD11108810
Product Description
Catalog Number:
AG01FMS2
Chemical Name:
3-(4-Oxoquinazolin-3(4H)-yl)propanoic acid hydrochloride
CAS Number:
1174311-58-0
Molecular Formula:
C11H11ClN2O3
Molecular Weight:
254.6696
MDL Number:
MFCD11108810
IUPAC Name:
3-(4-oxoquinazolin-3-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C11H10N2O3.ClH/c14-10(15)5-6-13-7-12-9-4-2-1-3-8(9)11(13)16;/h1-4,7H,5-6H2,(H,14,15);1H
InChI Key:
XADGWNPBBOBRJK-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cnc2c(c1=O)cccc2.Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.67g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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